Geometry & MOs

Info

ID:	199358
PubChem CID:	79233557
Reduced:	ON2C18H26 (1)
Stoich.:	AB2C18D26 (1)
Weight, g/mol:	234.148061
ΔH_f, kcal/mol:	-38.18
Dipole, Da:	2.98
IP(EA), eV:	-9.19(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[[6-(methylamino)pyridin-2-yl]methyl]piperazin-2-one

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=C1)CNCC(C)(CC(C)C)O

DOS

IR

Vibrations