Geometry & MOs

Info

ID:	209180
PubChem CID:	80635546
Reduced:	SO2N3C13H23 (1)
Stoich.:	AB2C3D13E23 (1)
Weight, g/mol:	276.195011
ΔH_f, kcal/mol:	-69.46
Dipole, Da:	8.14
IP(EA), eV:	-8.89(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[3-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-yl]piperazin-2-one

Drug info:

PubChemData

Smile

CCNCC1=CN=C(C(=C1)C)N(C)CCS(=O)(=O)C

DOS

IR

Vibrations