Geometry & MOs

Info

ID:

14572

PubChem CID:

415134

Reduced:

P3N9C32H40 (1)

Stoich.:

A3B9C32D40 (1)

Weight, g/mol:

643.261953

ΔHf, kcal/mol:

23.79

Dipole, Da:

2.96

IP(EA), eV:

 -7.23(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,6-bis(aziridin-1-yl)-2-N,4-N-bis(4-methylphenyl)-4,6-bis[(4-methylphenyl)imino]-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohex-2-ene-2,4-diamine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NP2(=NP(=NC3=CC=C(C=C3)C)(NP(=NC4=CC=C(C=C4)C)(N2)N5CC5)NC6=CC=C(C=C6)C)N7CC7

DOS

IR

Vibrations