Geometry & MOs

Info

ID:	444663
PubChem CID:	135263165
Reduced:	NF2O4C14H17 (1)
Stoich.:	AB2C4D14E17 (1)
Weight, g/mol:	528.191517
ΔH_f, kcal/mol:	-242.51
Dipole, Da:	3.85
IP(EA), eV:	-9.94(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1R,3R)-1-[3-chloro-5-fluoro-2-[2-(3-fluoropropylamino)ethoxy]pyridin-4-yl]-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2,2-difluoropropan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1C=O)F)OCCN(CCCF)C(=O)O

DOS

IR

Vibrations