Geometry & MOs

Info

ID:	408821
PubChem CID:	135081590
Reduced:	FNOC16H16 (1)
Stoich.:	ABCD16E16 (1)
Weight, g/mol:	273.092042
ΔH_f, kcal/mol:	-43.0
Dipole, Da:	3.52
IP(EA), eV:	-8.38(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-6-(anilinomethylidene)-4-chloro-2-propan-2-ylcyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C/C(=C/NC2=CC=CC=C2)/C1=O)F

DOS

IR

Vibrations