Geometry & MOs

Info

ID:

57061

PubChem CID:

22395284

Reduced:

O3C20H25 (1)

Stoich.:

A3B20C25 (1)

Weight, g/mol:

213.170194

ΔHf, kcal/mol:

-111.8

Dipole, Da:

7.01

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.267050

Charge, e:

 0

Chem-info

IUPAC name:

2,5,6,9,11,14-hexazatricyclo[8.4.0.01,6]tetradecan-10-amine

Drug info:

PubChemData

Smile

CCCCCCCCCC1=CC2=CC=CC=C2C(=C1O)C(=O)[O-]

DOS

IR

Vibrations