Geometry & MOs

Info

ID:	132388
PubChem CID:	51354377
Reduced:	ON2C16H18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	274.087291
ΔH_f, kcal/mol:	9.15
Dipole, Da:	1.65
IP(EA), eV:	-8.81(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-chlorophenyl)-1-(1,4,5-trimethylimidazol-2-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C/C(=O)C2=NC(=C(N2C)C)C

DOS

IR

Vibrations