Geometry & MOs

Info

ID:

165120

PubChem CID:

74502355

Reduced:

ON2C6H13 (1)

Stoich.:

AB2C6D13 (1)

Weight, g/mol:

143.118438

ΔHf, kcal/mol:

-20.96

Dipole, Da:

5.12

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.753403

Charge, e:

 1

Chem-info

IUPAC name:

1-ethyl-3-methylpiperazin-4-ium-2-one

Drug info:

PubChemData

Smile

CC1C(=O)N(CC[NH2+]1)C

DOS

IR

Vibrations