Geometry & MOs

Info

ID:	403457
PubChem CID:	135060339
Reduced:	IN2O2H27C32 (1)
Stoich.:	AB2C2D27E32 (1)
Weight, g/mol:	650.14303
ΔH_f, kcal/mol:	37.15
Dipole, Da:	2.51
IP(EA), eV:	-8.98(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-(4-tert-butylphenyl)-3-iodo-4-(4-methylphenyl)pyrido[2,3-b]indole-9-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C3C4=CC=CC=C4N(C3=NC(=C2I)C5=CCCCC5)C(=O)OCC6=CC=CC=C6

DOS

IR

Vibrations