Geometry & MOs

Info

ID:	403446
PubChem CID:	135060325
Reduced:	IN2O5C35H41 (1)
Stoich.:	AB2C5D35E41 (1)
Weight, g/mol:	594.13794
ΔH_f, kcal/mol:	-147.95
Dipole, Da:	2.58
IP(EA), eV:	-8.36(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl 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)OCC(C)C)N(C(=C2I)C5=CCCCC5)C(=O)OCC(C)C

DOS

IR

Vibrations