Geometry & MOs

Info

ID:	81543
PubChem CID:	49854847
Reduced:	N2O3H18C20 (1)
Stoich.:	A2B3C18D20 (1)
Weight, g/mol:	304.121178
ΔH_f, kcal/mol:	-14.6
Dipole, Da:	4.99
IP(EA), eV:	-8.4(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC=C2/C(=C/C3=CC(=CC(=C3)OC)OC)/C#N

DOS

IR

Vibrations