Geometry & MOs

Info

ID:	88644
PubChem CID:	49955869
Reduced:	ClO2N5C19H21 (1)
Stoich.:	AB2C5D19E21 (1)
Weight, g/mol:	436.154028
ΔH_f, kcal/mol:	77.48
Dipole, Da:	4.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.064863
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)CNCC=C)OC2=NN=NN2C3=CC=CC=C3.[Cl-]

DOS

IR

Vibrations