Geometry & MOs

Info

ID:	235463
PubChem CID:	92709713
Reduced:	ON3C19H25 (1)
Stoich.:	AB3C19D25 (1)
Weight, g/mol:	374.210661
ΔH_f, kcal/mol:	3.32
Dipole, Da:	4.44
IP(EA), eV:	-8.48(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@H](CC(=O)N2CCN(CC2)C)N3C=CC=C3

DOS

IR

Vibrations