Geometry & MOs

Info

ID:

315847

PubChem CID:

126629054

Reduced:

N6O7C35H48 (1)

Stoich.:

A6B7C35D48 (1)

Weight, g/mol:

792.325297

ΔHf, kcal/mol:

-250.64

Dipole, Da:

10.0

IP(EA), eV:

 -9.2(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[3-[3-[2-(3-carbazol-9-ylphenyl)-6-(4-phenylphenyl)-1,4-dihydropyrimidin-4-yl]phenyl]phenyl]carbazole

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N2CCC[C@H](N2)C(=O)O[C@@H](C3=NC4=C(C=CC(=C4)/C=C/N(CCCC(=O)N[C@H](C(=O)N1)C(C)C)C(=O)OC(C)(C)C)C=C3)C

DOS

IR

Vibrations