Geometry & MOs

Info

ID:	323308
PubChem CID:	126674089
Reduced:	ClOF3N3C21H21 (1)
Stoich.:	ABC3D3E21F21 (1)
Weight, g/mol:	442.118352
ΔH_f, kcal/mol:	-161.84
Dipole, Da:	8.25
IP(EA), eV:	-8.88(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CNC[C@@H]([C@@H]1NC(=O)C2=CN(C3=C2C(=CC=C3)F)CC4=CC=CC=C4F)F.Cl

DOS

IR

Vibrations