Geometry & MOs

Info

ID:	217177
PubChem CID:	85087378
Reduced:	ClON7C15H20 (1)
Stoich.:	ABC7D15E20 (1)
Weight, g/mol:	339.11384
ΔH_f, kcal/mol:	39.16
Dipole, Da:	10.3
IP(EA), eV:	-8.95(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-6-[[1-(1H-imidazol-5-yl)propan-2-ylamino]-phenylmethylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1CC2C(CC1Cl)NC(=CC(=O)NC3=CC=NC=C3)C4N2NNN4

DOS

IR

Vibrations