Geometry & MOs

Info

ID:	131160
PubChem CID:	51166947
Reduced:	O2N3C20H29 (1)
Stoich.:	A2B3C20D29 (1)
Weight, g/mol:	357.111341
ΔH_f, kcal/mol:	-85.38
Dipole, Da:	2.2
IP(EA), eV:	-8.93(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-2-(1H-indole-3-carbonyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN(C)CN2C(=O)C3(CCCCCCC3)NC2=O

DOS

IR

Vibrations