Geometry & MOs

Info

ID:	319539
PubChem CID:	126656581
Reduced:	NC12H27 (1)
Stoich.:	AB12C27 (1)
Weight, g/mol:	641.246713
ΔH_f, kcal/mol:	-57.4
Dipole, Da:	1.24
IP(EA), eV:	-8.6(3.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-(4,6-diphenylpyrimidin-2-yl)-5-(4-phenylcyclohexa-1,3-dien-1-yl)-[1]benzofuro[2,3-a]carbazole

Drug info:

PubChemData

Smile

CCC(C(C)C(C)C)NC(C)(C)C

DOS

IR

Vibrations