Geometry & MOs

Info

ID:	19596
PubChem CID:	568709
Reduced:	O3N7H13C16 (1)
Stoich.:	A3B7C13D16 (1)
Weight, g/mol:	351.107987
ΔH_f, kcal/mol:	122.06
Dipole, Da:	3.87
IP(EA), eV:	-9.64(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-nitrophenyl)methylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)NN=CC3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations