Geometry & MOs

Info

ID:

165015

PubChem CID:

74485239

Reduced:

N2O4C21H27 (1)

Stoich.:

A2B4C21D27 (1)

Weight, g/mol:

301.21407

ΔHf, kcal/mol:

-97.24

Dipole, Da:

6.12

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.760610

Charge, e:

 1

Chem-info

IUPAC name:

N-[3-(2-methylpiperidin-1-ium-1-yl)propyl]-1-phenyltetrazol-5-amine

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)NC(=O)C[NH+]2CCCC2C3=CC=CC=C3

DOS

IR

Vibrations