Geometry & MOs

Info

ID:

329471

PubChem CID:

126737200

Reduced:

P2O9C111H114 (1)

Stoich.:

A2B9C111D114 (1)

Weight, g/mol:

251.236148

ΔHf, kcal/mol:

-200.33

Dipole, Da:

10.88

IP(EA), eV:

 -8.43(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(5-methyldodecan-5-yl)-2H-triazole

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC(C)(C)C2=CC(=C(C(=C2)C)OC(C)(C)CC3=CC=C(C=C3)C4=CC=C(C=C4)COC5=CC(=C(C=C5)O)P(=O)(C6=CC=CC=C6)C7=CC=CC=C7)C)C)C(C)(C)C8=CC(=C(C(=C8)C)OC(C)(C)C9=CC(=C(C(=C9)C)OC(C)(C)CC1=CC=C(C=C1)C1=CC=C(C=C1)COC1=C(C=C(C=C1)O)P(C1=CC=CC=C1)C1=CC=CC=C1)C)C

DOS

IR

Vibrations