Geometry & MOs

Info

ID:	440687
PubChem CID:	135230965
Reduced:	NC10H17 (1)
Stoich.:	AB10C17 (1)
Weight, g/mol:	478.186813
ΔH_f, kcal/mol:	12.37
Dipole, Da:	2.08
IP(EA), eV:	-8.21(1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3,5-difluoro-4-[2-(2-fluoro-2-methylpropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]benzoic acid

Drug info:

PubChemData

Smile

CCCCC1CCC(=C=C)N1

DOS

IR

Vibrations