Geometry & MOs

Info

ID:	403453
PubChem CID:	135060334
Reduced:	N2O3C17H20 (1)
Stoich.:	A2B3C17D20 (1)
Weight, g/mol:	764.17472
ΔH_f, kcal/mol:	-50.93
Dipole, Da:	2.81
IP(EA), eV:	-8.61(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)/C=C\C=NOC

DOS

IR

Vibrations