Geometry & MOs

Info

ID:	403459
PubChem CID:	135060342
Reduced:	IN2O5H35C42 (1)
Stoich.:	AB2C5D35E42 (1)
Weight, g/mol:	640.06258
ΔH_f, kcal/mol:	-38.88
Dipole, Da:	2.24
IP(EA), eV:	-8.35(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 4-(4-chlorophenyl)-3-iodo-6-methyl-2-phenyl-4H-pyrido[2,3-b]indole-1,9-dicarboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2C3=C(N(C4=CC=CC=C43)C(=O)OCC5=CC=CC=C5)N(C(=C2I)C6=CC=C(C=C6)C)C(=O)OCC7=CC=CC=C7

DOS

IR

Vibrations