Geometry & MOs

Info

ID:	421203
PubChem CID:	135115555
Reduced:	ON2C10H11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	356.20124
ΔH_f, kcal/mol:	-8.04
Dipole, Da:	4.73
IP(EA), eV:	-9.34(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]amino]-5,6-dimethylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CO1)NC(=O)CCC2=CNN=C2)CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations