Geometry & MOs

Info

ID:	207003
PubChem CID:	80331259
Reduced:	ON2C13H22 (1)
Stoich.:	AB2C13D22 (1)
Weight, g/mol:	234.148061
ΔH_f, kcal/mol:	-40.81
Dipole, Da:	1.7
IP(EA), eV:	-9.07(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(1S)-1-aminoethyl]pyridin-2-yl]-3-methylpiperazin-2-one

Drug info:

PubChemData

Smile

CCCNC(C)C1=CC(=NC=C1)OCCC

DOS

IR

Vibrations