Geometry & MOs

Info

ID:	353692
PubChem CID:	127285269
Reduced:	ON6C8H14 (1)
Stoich.:	AB6C8D14 (1)
Weight, g/mol:	238.154209
ΔH_f, kcal/mol:	29.98
Dipole, Da:	4.17
IP(EA), eV:	-9.74(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(1-propan-2-yltetrazol-5-yl)methyl]piperazin-2-one

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1CC2=NN=NN2C

DOS

IR

Vibrations