Geometry & MOs

Info

ID:	343033
PubChem CID:	127266196
Reduced:	N3O3C13H19 (1)
Stoich.:	A3B3C13D19 (1)
Weight, g/mol:	301.09819
ΔH_f, kcal/mol:	-56.29
Dipole, Da:	2.62
IP(EA), eV:	-9.36(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)COC2CCN(CC2)C(=O)C=C

DOS

IR

Vibrations