Geometry & MOs

Info

ID:

47274

PubChem CID:

10531045

Reduced:

NO8C32H41 (1)

Stoich.:

AB8C32D41 (1)

Weight, g/mol:

567.34207

ΔHf, kcal/mol:

-263.92

Dipole, Da:

5.75

IP(EA), eV:

 -10.19(-1.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2-dodecyltetrazol-5-yl)-2-(4-methoxyphenyl)-N-(2,4,6-trimethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

C[C@H]1CC[C@@H]([C@H](C1)O[C@@H]2[C@H]3C(=CC[C@@H]4[C@@]3([C@H](CCC4(C)C)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-])C(=O)O2)C=O)C(C)C

DOS

IR

Vibrations