Geometry & MOs

Info

ID:	323301
PubChem CID:	126674063
Reduced:	ClOF3N4H18C20 (1)
Stoich.:	ABC3D4E18F20 (1)
Weight, g/mol:	406.141674
ΔH_f, kcal/mol:	-120.2
Dipole, Da:	1.65
IP(EA), eV:	-9.14(-0.94)
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

Drug info:

PubChemData

Smile

C1CNC[C@@H](C1NC(=O)C2=CN(C3=C(C=CC(=C23)F)F)CC4=CC(=NC=C4)Cl)F

DOS

IR

Vibrations