Geometry & MOs

Info

ID:	194038
PubChem CID:	78472515
Reduced:	N3O4H11C12 (1)
Stoich.:	A3B4C11D12 (1)
Weight, g/mol:	410.182829
ΔH_f, kcal/mol:	6.71
Dipole, Da:	8.94
IP(EA), eV:	-9.28(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1,3-benzodioxol-5-yl-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-(2-ethoxy-2-oxoethyl)azanium

Drug info:

PubChemData

Smile

CN(C)C=C1C(=NOC1=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations