Geometry & MOs

Info

ID:	403455
PubChem CID:	135060337
Reduced:	IN2O3H29C33 (1)
Stoich.:	AB2C3D29E33 (1)
Weight, g/mol:	734.16415
ΔH_f, kcal/mol:	-0.91
Dipole, Da:	3.28
IP(EA), eV:	-8.87(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=C3C4=CC=CC=C4N(C3=NC(=C2I)C5=CCCCC5)C(=O)OCC6=CC=CC=C6

DOS

IR

Vibrations