Geometry & MOs

Info

ID:	196403
PubChem CID:	78819642
Reduced:	N2O3C19H24 (1)
Stoich.:	A2B3C19D24 (1)
Weight, g/mol:	312.112344
ΔH_f, kcal/mol:	-67.94
Dipole, Da:	1.98
IP(EA), eV:	-8.62(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-2-amino-4-[1-(2-cyanoethyl)indol-3-yl]buta-1,3-diene-1,1,3-tricarbonitrile

Drug info:

PubChemData

Smile

CN(C)CC(C1=CC=CC=C1)NC(=O)C2=C(C(=CC=C2)OC)OC

DOS

IR

Vibrations