Geometry & MOs

Info

ID:	401677
PubChem CID:	135052110
Reduced:	ON5C9H9 (1)
Stoich.:	AB5C9D9 (1)
Weight, g/mol:	234.050138
ΔH_f, kcal/mol:	104.29
Dipole, Da:	5.81
IP(EA), eV:	-9.74(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NZ)-N-[(4-nitrophenyl)-(tetrazol-1-yl)methylidene]hydroxylamine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=N/O)/N2C=NN=N2

DOS

IR

Vibrations