Geometry & MOs

Info

ID:	234551
PubChem CID:	92298676
Reduced:	O3N6C12H14 (1)
Stoich.:	A3B6C12D14 (1)
Weight, g/mol:	332.09094
ΔH_f, kcal/mol:	26.68
Dipole, Da:	3.35
IP(EA), eV:	-9.43(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-cyano-3-(1H-indol-3-yl)-N-(2-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)C(=N/N=C(/C3=NON=C3N)\N)C2=O

DOS

IR

Vibrations