Geometry & MOs

Info

ID:	440672
PubChem CID:	135230890
Reduced:	NOF2H11C12 (2)
Stoich.:	ABC2D11E12 (2)
Weight, g/mol:	478.186813
ΔH_f, kcal/mol:	-213.11
Dipole, Da:	3.14
IP(EA), eV:	-8.36(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[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

CC(CN1CCC2=C(C1C3=C(C=C(C=C3F)/C=C/C(=O)OC)F)NC4=CC=CC=C24)(F)F

DOS

IR

Vibrations