Geometry & MOs

Info

ID:	88637
PubChem CID:	49955831
Reduced:	ClO2N5C19H21 (1)
Stoich.:	AB2C5D19E21 (1)
Weight, g/mol:	358.143463
ΔH_f, kcal/mol:	85.96
Dipole, Da:	6.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750062
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(OC1)CNCC2=CC(=CC=C2)OC3=NN=NN3C4=CC=CC=C4.[Cl-]

DOS

IR

Vibrations