Geometry & MOs

Info

ID:	346846
PubChem CID:	127271350
Reduced:	SN2O4C18H26 (1)
Stoich.:	AB2C4D18E26 (1)
Weight, g/mol:	253.179027
ΔH_f, kcal/mol:	-158.02
Dipole, Da:	7.57
IP(EA), eV:	-9.2(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CN(CC(=O)NC(C1CCCO1)C2=CC=CC=C2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations