Geometry & MOs

Info

ID:	141460
PubChem CID:	52879665
Reduced:	OCl2N4C21H30 (1)
Stoich.:	AB2C4D21E30 (1)
Weight, g/mol:	325.067426
ΔH_f, kcal/mol:	81.53
Dipole, Da:	17.89
IP(EA), eV:	-3.08(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(3-nitrophenyl)-3-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=[N+](C=CN1)CCCC(=O)N(CC[NH+]2CCCC2)CC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations