Geometry & MOs

Info

ID:	81350
PubChem CID:	49854630
Reduced:	ON3H17C19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	289.121512
ΔH_f, kcal/mol:	65.44
Dipole, Da:	6.97
IP(EA), eV:	-8.33(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-(5-methoxy-1H-indol-3-yl)-3-pyridin-3-ylbut-2-enenitrile

Drug info:

PubChemData

Smile

CC(C)OC1=CC2=C(C=C1)NC=C2/C(=C/C3=CN=CC=C3)/C#N

DOS

IR

Vibrations