Geometry & MOs

Info

ID:	305714
PubChem CID:	124966244
Reduced:	O3N4C19H22 (1)
Stoich.:	A3B4C19D22 (1)
Weight, g/mol:	381.221641
ΔH_f, kcal/mol:	-74.92
Dipole, Da:	6.08
IP(EA), eV:	-9.32(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S)-1-(3,6-dihydro-2H-pyran-5-ylmethyl)piperidin-3-yl]-N-(4-fluorophenyl)-6-methylpyridin-4-amine

Drug info:

PubChemData

Smile

CC(=O)NCC1=NC(=CC=C1)[C@H]2CCCN2C(=O)C3=CN=C(C=C3)OC

DOS

IR

Vibrations