Geometry & MOs

Info

ID:	235470
PubChem CID:	92709739
Reduced:	ClFON2H18C20 (1)
Stoich.:	ABCD2E18F20 (1)
Weight, g/mol:	375.20591
ΔH_f, kcal/mol:	-32.33
Dipole, Da:	5.35
IP(EA), eV:	-9.09(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(2-methylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@@H](CC(=O)NC2=CC(=C(C=C2)F)Cl)N3C=CC=C3

DOS

IR

Vibrations