Geometry & MOs

Info

ID:	323290
PubChem CID:	126674014
Reduced:	FO2N3H12C14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	404.121545
ΔH_f, kcal/mol:	-51.72
Dipole, Da:	7.41
IP(EA), eV:	-9.15(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chloropyridin-4-yl)methyl]-4-fluoro-N-[(3S)-3-fluoropiperidin-4-yl]indole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CNN=C1)N2C=C(C3=C2C=CC=C3F)C(=O)O

DOS

IR

Vibrations