Geometry & MOs

Info

ID:	35546
PubChem CID:	7980015
Reduced:	N2O3C14H20 (1)
Stoich.:	A2B3C14D20 (1)
Weight, g/mol:	286.148141
ΔH_f, kcal/mol:	-114.83
Dipole, Da:	2.74
IP(EA), eV:	-9.77(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)NNC(=O)C1=CC=C(C=C1)C(C)(C)C

DOS

IR

Vibrations