Geometry & MOs

Info

ID:	402923
PubChem CID:	135057887
Reduced:	IPO10C59H60 (1)
Stoich.:	ABC10D59E60 (1)
Weight, g/mol:	199.110947
ΔH_f, kcal/mol:	-260.57
Dipole, Da:	5.48
IP(EA), eV:	-9.15(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-4-prop-1-en-2-yltriazole

Drug info:

Smile

C1=CC=C(C=C1)COC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@H]([C@@H](COCC3=CC=CC=C3)OC=O)[C@H](CI)P(=O)(C4=CC=CC=C4)C5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8

DOS

IR

Vibrations