Geometry & MOs

Info

ID:	445086
PubChem CID:	135264516
Reduced:	N2O2C15H19 (2)
Stoich.:	A2B2C15D19 (2)
Weight, g/mol:	593.257946
ΔH_f, kcal/mol:	-125.03
Dipole, Da:	7.42
IP(EA), eV:	-8.76(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3Z,5E)-6-(4,6-diphenyl-1,3,5-triazin-2-yl)hexa-1,3,5-trien-2-yl]-3-phenyl-1,2-dihydropyrrolo[2,3-c]carbazole

Drug info:

PubChemData

Smile

CCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)C[C@@H](C(=O)N[C@H](C)C(=O)O)NC

DOS

IR

Vibrations