Geometry & MOs

Info

ID:	235472
PubChem CID:	92709752
Reduced:	ClFON2H18C20 (1)
Stoich.:	ABCD2E18F20 (1)
Weight, g/mol:	403.225977
ΔH_f, kcal/mol:	-32.49
Dipole, Da:	3.88
IP(EA), eV:	-8.74(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(2-methylphenyl)-3-pyrrol-1-ylpropan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations