Geometry & MOs

Info

ID:	165119
PubChem CID:	74502354
Reduced:	ON2C7H15 (1)
Stoich.:	AB2C7D15 (1)
Weight, g/mol:	129.102788
ΔH_f, kcal/mol:	-32.38
Dipole, Da:	5.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753632
Charge, e:	1

Chem-info

IUPAC name:

1,3-dimethylpiperazin-4-ium-2-one

Drug info:

PubChemData

Smile

CC(C)C1C(=O)NCC[NH2+]1

DOS

IR

Vibrations