Geometry & MOs

Info

ID:	26794
PubChem CID:	798409
Reduced:	O4N5C11H11 (1)
Stoich.:	A4B5C11D11 (1)
Weight, g/mol:	343.047217
ΔH_f, kcal/mol:	10.83
Dipole, Da:	7.86
IP(EA), eV:	-10.28(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-2-[5-(4-nitrophenyl)tetrazol-2-yl]ethanone

Drug info:

PubChemData

Smile

CCOC(=O)CN1N=C(N=N1)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations