Geometry & MOs

Info

ID:	367646
PubChem CID:	127325170
Reduced:	NO4C16H21 (1)
Stoich.:	AB4C16D21 (1)
Weight, g/mol:	350.166414
ΔH_f, kcal/mol:	-157.68
Dipole, Da:	5.04
IP(EA), eV:	-9.49(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclohexylmethylsulfanyl)-N-(1,4-dioxan-2-ylmethyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1COC(C2=CC=CC=C21)CC(=O)NCC3COCCO3

DOS

IR

Vibrations