Geometry & MOs

Info

ID:	306050
PubChem CID:	125001039
Reduced:	SN7C17H21 (1)
Stoich.:	AB7C17D21 (1)
Weight, g/mol:	435.111647
ΔH_f, kcal/mol:	93.33
Dipole, Da:	5.34
IP(EA), eV:	-8.32(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S)-3-[(4-chloro-3-methylphenoxy)methyl]-1-(2-chloropyridine-3-carbonyl)piperidin-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)NC2=NC=CN=C2[C@H]3CCCN(C3)CC4=CN=CN4

DOS

IR

Vibrations