Geometry & MOs

Info

ID:	81451
PubChem CID:	49854740
Reduced:	ON3H16C18 (1)
Stoich.:	AB3C16D18 (1)
Weight, g/mol:	275.105862
ΔH_f, kcal/mol:	78.59
Dipole, Da:	4.82
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.982933
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-(4-methoxy-1H-indol-3-yl)-3-pyridin-3-ylprop-2-enenitrile

Drug info:

PubChemData

Smile

C[N+]1=CC=CC(=C1)/C=C(\C#N)/C2=CNC3=C2C=C(C=C3)OC

DOS

IR

Vibrations