Geometry & MOs

Info

ID:	35553
PubChem CID:	7980022
Reduced:	O2N3C21H21 (1)
Stoich.:	A2B3C21D21 (1)
Weight, g/mol:	302.118591
ΔH_f, kcal/mol:	-3.35
Dipole, Da:	1.25
IP(EA), eV:	-9.13(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-chlorophenyl)-2-cyano-N-[(1S,2R)-2-methylcyclohexyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=O)NNC(=O)C2=NC3=CC=CC=C3C=C2

DOS

IR

Vibrations