Geometry & MOs

Info

ID:	403328
PubChem CID:	135059757
Reduced:	ICl2N2O4H23C29 (1)
Stoich.:	AB2C2D4E23F29 (1)
Weight, g/mol:	656.09144
ΔH_f, kcal/mol:	-65.95
Dipole, Da:	1.6
IP(EA), eV:	-8.47(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl 4-(2-chlorophenyl)-2-hexyl-3-iodo-7-(trifluoromethyl)pyrido[2,3-b]indole-9-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)N1C2=CC=CC=C2C3=C1N(C(=C(C3C4=C(C(=CC=C4)Cl)Cl)I)C5=CC=CC=C5)C(=O)OCC

DOS

IR

Vibrations