Geometry & MOs

Info

ID:	403456
PubChem CID:	135060338
Reduced:	IN2O4H35C40 (1)
Stoich.:	AB2C4D35E40 (1)
Weight, g/mol:	598.11172
ΔH_f, kcal/mol:	-18.89
Dipole, Da:	3.16
IP(EA), eV:	-8.2(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-(cyclohexen-1-yl)-3-iodo-4-(4-methylphenyl)pyrido[2,3-b]indole-9-carboxylate

Drug info:

PubChemData

Smile

CC1=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