Geometry & MOs

Info

ID:

382900

PubChem CID:

134974332

Reduced:

N2H29C31 (1)

Stoich.:

A2B29C31 (1)

Weight, g/mol:

403.235015

ΔHf, kcal/mol:

126.08

Dipole, Da:

2.28

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.065576

Charge, e:

 0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)N2C=[N+](C(=C2C3=CC=CC=C3)C4=CC=CC=C4)[C@H](C)C5=CC=CC=C5

DOS

IR

Vibrations