Geometry & MOs

Info

ID:	388629
PubChem CID:	134989691
Reduced:	N5C6O6H7 (1)
Stoich.:	A5B6C6D7 (1)
Weight, g/mol:	297.02252
ΔH_f, kcal/mol:	-25.57
Dipole, Da:	4.79
IP(EA), eV:	-11.64(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-amino-4-methyltetrazol-4-ium-1-yl)-1-phenylethanone;bromide

Drug info:

PubChemData

Smile

CC(CN1C(=CN=N1)C(=O)O)([N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations