Geometry & MOs

Info

ID:	370897
PubChem CID:	127341223
Reduced:	ON2C8H15 (2)
Stoich.:	AB2C8D15 (2)
Weight, g/mol:	224.138559
ΔH_f, kcal/mol:	-116.18
Dipole, Da:	4.18
IP(EA), eV:	-8.8(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-4-[(1-methyltetrazol-5-yl)methyl]piperazin-2-one

Drug info:

PubChemData

Smile

CCC1C(=O)NCCN1CC(=O)NC2CCN(CC2)C(C)C

DOS

IR

Vibrations