Geometry & MOs

Info

ID:	235473
PubChem CID:	92709754
Reduced:	O2N3C25H29 (1)
Stoich.:	A2B3C25D29 (1)
Weight, g/mol:	391.205991
ΔH_f, kcal/mol:	-7.04
Dipole, Da:	6.92
IP(EA), eV:	-8.09(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@@H](CC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC)N4C=CC=C4

DOS

IR

Vibrations