Geometry & MOs

Info

ID:	220858
PubChem CID:	85240194
Reduced:	NOC19H21 (1)
Stoich.:	ABC19D21 (1)
Weight, g/mol:	279.162314
ΔH_f, kcal/mol:	6.79
Dipole, Da:	4.14
IP(EA), eV:	-9.18(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(2-benzylcyclopentyl)amino]methylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC(C)N(CC=CC1=CC=CC=C1)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations