Geometry & MOs

Info

ID:	365207
PubChem CID:	127317024
Reduced:	O2N3C21H31 (1)
Stoich.:	A2B3C21D31 (1)
Weight, g/mol:	379.237211
ΔH_f, kcal/mol:	-87.31
Dipole, Da:	7.35
IP(EA), eV:	-8.8(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

CN(CC(=O)NC1CCCCC1)C2CCN(CC2)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations