Geometry & MOs

Info

ID:	235581
PubChem CID:	92710087
Reduced:	ON2C22H24 (1)
Stoich.:	AB2C22D24 (1)
Weight, g/mol:	391.205991
ΔH_f, kcal/mol:	7.26
Dipole, Da:	1.47
IP(EA), eV:	-8.75(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC(=O)C[C@H](C2=CC=CC(=C2)C)N3C=CC=C3

DOS

IR

Vibrations