Geometry & MOs

Info

ID:	133988
PubChem CID:	51622844
Reduced:	ClFO2N5H17C21 (1)
Stoich.:	ABC2D5E17F21 (1)
Weight, g/mol:	378.182254
ΔH_f, kcal/mol:	-38.39
Dipole, Da:	3.48
IP(EA), eV:	-9.29(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(4-chlorophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)NC4=C(C=CC(=C4)Cl)F)C

DOS

IR

Vibrations