Geometry & MOs

Info

ID:	88633
PubChem CID:	49955818
Reduced:	ClO2N5C21H27 (1)
Stoich.:	AB2C5D21E27 (1)
Weight, g/mol:	346.107078
ΔH_f, kcal/mol:	66.72
Dipole, Da:	6.0
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750022
Charge, e:	-1

Chem-info

IUPAC name:

2-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethanol;chloride

Drug info:

PubChemData

Smile

CCC(C)(C)NCC1=CC(=C(C=C1)OC2=NN=NN2C3=CC=CC=C3)OCC.[Cl-]

DOS

IR

Vibrations