Geometry & MOs

Info

ID:	217161
PubChem CID:	85087353
Reduced:	ClNO4C17H20 (1)
Stoich.:	ABC4D17E20 (1)
Weight, g/mol:	337.063634
ΔH_f, kcal/mol:	-168.04
Dipole, Da:	2.56
IP(EA), eV:	-8.48(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-[(2-chlorophenyl)-(2-hydroxybutylamino)methylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC1=COC2=C(C=C3C(=C12)C(CN3C(=O)OC(C)(C)C)CCl)O

DOS

IR

Vibrations