Geometry & MOs

Info

ID:	35617
PubChem CID:	7980104
Reduced:	ClON2C17H19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	286.148141
ΔH_f, kcal/mol:	-8.77
Dipole, Da:	1.99
IP(EA), eV:	-9.84(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-cyano-3-(4-fluorophenyl)-N-[(1S,2S)-2-methylcyclohexyl]prop-2-enamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations