Geometry & MOs

Info

ID:	171416
PubChem CID:	75375484
Reduced:	ClO2N3H14C18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	345.241627
ΔH_f, kcal/mol:	22.45
Dipole, Da:	2.52
IP(EA), eV:	-9.24(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-hydroxycyclohexyl)-N-methyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C#N)C2=CN=C(O2)CNC3=C(C=CC(=C3)CO)Cl

DOS

IR

Vibrations