Geometry & MOs

Info

ID:	305483
PubChem CID:	124956104
Reduced:	SN7C18H21 (1)
Stoich.:	AB7C18D21 (1)
Weight, g/mol:	440.171162
ΔH_f, kcal/mol:	93.62
Dipole, Da:	6.94
IP(EA), eV:	-8.51(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-3-[5-[(2,6-difluorophenyl)methyl]pyridin-2-yl]piperidin-1-yl]-2-(2-fluorophenoxy)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)[C@H]2CCN(C2)C3=NC=CN=C3)NC4=NC(=C(S4)C)C

DOS

IR

Vibrations