Geometry & MOs

Info

ID:	339396
PubChem CID:	127261292
Reduced:	SO2N3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	239.094629
ΔH_f, kcal/mol:	15.46
Dipole, Da:	2.17
IP(EA), eV:	-8.1(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-6-[(2-acetylanilino)methylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC2=NC(=C(S2)O/N=C/C)C

DOS

IR

Vibrations