Geometry & MOs

Info

ID:	128491
PubChem CID:	51046929
Reduced:	N2O3C22H26 (1)
Stoich.:	A2B3C22D26 (1)
Weight, g/mol:	229.090292
ΔH_f, kcal/mol:	-104.76
Dipole, Da:	5.69
IP(EA), eV:	-8.83(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-6-[(4-fluoro-3-methylanilino)methylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)CN2C(=O)COC3=C2C=CC(=C3)C(C)(C)C)C

DOS

IR

Vibrations