Geometry & MOs

Info

ID:

408488

PubChem CID:

135081254

Reduced:

ON2C14H17 (1)

Stoich.:

AB2C14D17 (1)

Weight, g/mol:

210.034685

ΔHf, kcal/mol:

1.96

Dipole, Da:

3.98

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.790138

Charge, e:

 0

Chem-info

IUPAC name:

3,14-diaza-13-phosphatetracyclo[6.5.2.04,15.011,14]pentadeca-1(13),2,4,6,8(15),9,11-heptaene

Drug info:

PubChemData

Smile

CC1(CC(=O)N[N+]1=C2CC3=CC=CC=C3C2)C

DOS

IR

Vibrations