Geometry & MOs

Info

ID:	81645
PubChem CID:	49854958
Reduced:	ClN2H11C17 (1)
Stoich.:	AB2C11D17 (1)
Weight, g/mol:	350.126657
ΔH_f, kcal/mol:	99.76
Dipole, Da:	5.81
IP(EA), eV:	-8.76(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-(5-methoxy-1H-indol-3-yl)prop-2-enenitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)/C(=C/C3=CC(=CC=C3)Cl)/C#N

DOS

IR

Vibrations