Geometry & MOs

Info

ID:	340835
PubChem CID:	127263270
Reduced:	N3O6C22H28 (1)
Stoich.:	A3B6C22D28 (1)
Weight, g/mol:	365.148789
ΔH_f, kcal/mol:	-77.0
Dipole, Da:	3.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.988856
Charge, e:	0

Chem-info

IUPAC name:

6-oxo-6-[4-(2-phenyltetrazol-5-yl)anilino]hexanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=[N+](C=C1)CCCCCCCCOC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C

DOS

IR

Vibrations