Geometry & MOs

Info

ID:	35616
PubChem CID:	7980103
Reduced:	FON2C17H19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	302.118591
ΔH_f, kcal/mol:	-46.9
Dipole, Da:	1.95
IP(EA), eV:	-9.98(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@H]1NC(=O)/C(=C/C2=CC=C(C=C2)F)/C#N

DOS

IR

Vibrations