Geometry & MOs

Info

ID:	323297
PubChem CID:	126674044
Reduced:	O2F3N3C22H22 (1)
Stoich.:	A2B3C3D22E22 (1)
Weight, g/mol:	442.118352
ΔH_f, kcal/mol:	-160.6
Dipole, Da:	8.64
IP(EA), eV:	-8.96(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C=C(C3=C(C=CC(=C32)F)F)C(=O)NC4CCNCC4F

DOS

IR

Vibrations