Geometry & MOs

Info

ID:	403458
PubChem CID:	135060341
Reduced:	IN2O2H31C36 (1)
Stoich.:	AB2C2D31E36 (1)
Weight, g/mol:	774.15907
ΔH_f, kcal/mol:	42.59
Dipole, Da:	2.58
IP(EA), eV:	-8.98(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dibenzyl 4-(4-ethoxyphenyl)-3-iodo-2-(4-methylphenyl)-4H-pyrido[2,3-b]indole-1,9-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C3C4=CC=CC=C4N(C3=NC(=C2I)C5=CC=C(C=C5)C(C)(C)C)C(=O)OCC6=CC=CC=C6

DOS

IR

Vibrations