Geometry & MOs

Info

ID:	17334
PubChem CID:	493281
Reduced:	O3N4H16C18 (1)
Stoich.:	A3B4C16D18 (1)
Weight, g/mol:	336.12224
ΔH_f, kcal/mol:	44.01
Dipole, Da:	3.44
IP(EA), eV:	-8.9(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzotriazol-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C=C(C#N)N2C3=CC=CC=C3N=N2

DOS

IR

Vibrations