Geometry & MOs

Info

ID:	27233
PubChem CID:	819800
Reduced:	NO3C19H21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-84.36
Dipole, Da:	6.92
IP(EA), eV:	-8.95(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(benzylideneamino)-N-cyclohexylpropanediamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)[C@H]2[C@H]3C=C[C@@H]([C@@H]2C(=O)O)C3=C(C)C

DOS

IR

Vibrations