Geometry & MOs

Info

ID:	193962
PubChem CID:	78460327
Reduced:	O2F3N4C20H24 (1)
Stoich.:	A2B3C4D20E24 (1)
Weight, g/mol:	306.0991
ΔH_f, kcal/mol:	-161.94
Dipole, Da:	5.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752105
Charge, e:	-1

Chem-info

IUPAC name:

2-[2-(1-phenyltetrazol-5-yl)ethenylamino]benzoate

Drug info:

PubChemData

Smile

C[NH+](C)CCN1CC2=C(C1=O)C(NC(=O)N2CC=C)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations