Geometry & MOs

Info

ID:	268078
PubChem CID:	103597732
Reduced:	FNOH9C11 (2)
Stoich.:	ABCD9E11 (2)
Weight, g/mol:	333.184112
ΔH_f, kcal/mol:	-97.47
Dipole, Da:	2.63
IP(EA), eV:	-9.04(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(2-cyanoethyl)indol-3-yl]-N-(dicyclopropylmethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CNC(=O)C(C1=CC(=C(C=C1)F)F)NC(=O)C=CC2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations