Geometry & MOs

Info

ID:	81644
PubChem CID:	49854957
Reduced:	ON3H13C17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	278.061076
ΔH_f, kcal/mol:	80.46
Dipole, Da:	5.38
IP(EA), eV:	-8.38(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(3-chlorophenyl)-2-(1H-indol-3-yl)prop-2-enenitrile

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC=C2/C(=C/C3=CC=CC=N3)/C#N

DOS

IR

Vibrations