Geometry & MOs

Info

ID:	403454
PubChem CID:	135060336
Reduced:	IN2O5H37C41 (1)
Stoich.:	AB2C5D37E41 (1)
Weight, g/mol:	628.12229
ΔH_f, kcal/mol:	-59.62
Dipole, Da:	3.82
IP(EA), eV:	-8.28(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-(cyclohexen-1-yl)-4-(4-ethoxyphenyl)-3-iodopyrido[2,3-b]indole-9-carboxylate

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=CCCCC6)C(=O)OCC7=CC=CC=C7

DOS

IR

Vibrations