Geometry & MOs

Info

ID:	55742
PubChem CID:	17396232
Reduced:	O3N4C22H22 (1)
Stoich.:	A3B4C22D22 (1)
Weight, g/mol:	233.121592
ΔH_f, kcal/mol:	-24.13
Dipole, Da:	4.87
IP(EA), eV:	-9.23(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluoro-4-methylphenyl)cyclohex-3-ene-1-carboxamide

Drug info:

PubChemData

Smile

CN(CC(=O)NC1CC1)C(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

DOS

IR

Vibrations