Geometry & MOs

Info

ID:	353691
PubChem CID:	127285268
Reduced:	O2N4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	210.122909
ΔH_f, kcal/mol:	-46.64
Dipole, Da:	7.34
IP(EA), eV:	-9.19(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1CCC2=NC(=O)C3=CC=CC=C3N2

DOS

IR

Vibrations