Geometry & MOs

Info

ID:	180517
PubChem CID:	76647883
Reduced:	NOC19H21 (1)
Stoich.:	ABC19D21 (1)
Weight, g/mol:	349.240565
ΔH_f, kcal/mol:	-4.13
Dipole, Da:	3.16
IP(EA), eV:	-8.12(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(4-tert-butylcyclohexyl)amino]methylidene]-2-(4-methylphenyl)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CNC2=CC=CC=C2)C(=O)C(=C1)C3CCCC3

DOS

IR

Vibrations