Geometry & MOs

Info

ID:	17715
PubChem CID:	514264
Reduced:	NOC11H12 (2)
Stoich.:	ABC11D12 (2)
Weight, g/mol:	348.183778
ΔH_f, kcal/mol:	-38.92
Dipole, Da:	9.13
IP(EA), eV:	-8.45(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-1-methyl-2-(5-methylpyridin-2-yl)indole-6-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)C2=C(C3=C(N2C)C=C(C=C3)C(=O)O)C4CCCCC4

DOS

IR

Vibrations