Geometry & MOs

Info

ID:	197431
PubChem CID:	78965650
Reduced:	N3O5H11C12 (1)
Stoich.:	A3B5C11D12 (1)
Weight, g/mol:	262.096694
ΔH_f, kcal/mol:	-94.74
Dipole, Da:	7.12
IP(EA), eV:	-10.04(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-(5-phenyltetrazol-1-yl)benzonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C#N)[N+](=O)[O-])NC(=O)CCCC(=O)O

DOS

IR

Vibrations