Geometry & MOs

Info

ID:	88634
PubChem CID:	49955823
Reduced:	ClO2N5C16H17 (1)
Stoich.:	AB2C5D16E17 (1)
Weight, g/mol:	406.143463
ΔH_f, kcal/mol:	85.79
Dipole, Da:	7.79
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750028
Charge, e:	-1

Chem-info

IUPAC name:

2-phenyl-N-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]ethanamine;chloride

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=NN=N2)OC3=CC=CC(=C3)CNCCO.[Cl-]

DOS

IR

Vibrations