Geometry & MOs

Info

ID:	323299
PubChem CID:	126674057
Reduced:	ON3F4H19C21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	458.088801
ΔH_f, kcal/mol:	-170.64
Dipole, Da:	3.64
IP(EA), eV:	-8.96(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chloropyridin-4-yl)methyl]-4,7-difluoro-N-[(3S)-3-fluoropiperidin-4-yl]indole-3-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

C1CNCC(C1NC(=O)C2=CN(C3=C2C(=CC=C3)F)CC4=CC(=C(C=C4)F)F)F

DOS

IR

Vibrations