Geometry & MOs

Info

ID:	403445
PubChem CID:	135060324
Reduced:	BrIN2O2H22C28 (1)
Stoich.:	ABC2D2E22F28 (1)
Weight, g/mol:	696.20602
ΔH_f, kcal/mol:	34.28
Dipole, Da:	1.58
IP(EA), eV:	-9.13(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)COC(=O)N1C2=CC=CC=C2C3=C(C(=C(N=C31)C4=CC=CC=C4)I)C5=CC=C(C=C5)Br

DOS

IR

Vibrations