Geometry & MOs

Info

ID:	323309
PubChem CID:	126674092
Reduced:	ClOF4N4H19C20 (1)
Stoich.:	ABC4D4E19F20 (1)
Weight, g/mol:	435.152511
ΔH_f, kcal/mol:	-199.25
Dipole, Da:	3.83
IP(EA), eV:	-9.41(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[(3S)-3-fluoropiperidin-4-yl]-1-[(3-methoxyphenyl)methyl]indole-3-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations