Geometry & MOs

Info

ID:	129566
PubChem CID:	51073121
Reduced:	OSN3C17H21 (1)
Stoich.:	ABC3D17E21 (1)
Weight, g/mol:	220.121178
ΔH_f, kcal/mol:	5.09
Dipole, Da:	5.18
IP(EA), eV:	-9.08(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(pyridin-3-ylmethyl)oxane-4-carboxamide

Drug info:

PubChemData

Smile

C1CCCN(CCC1)C(=O)CC2=CSC(=N2)C3=CC=CC=N3

DOS

IR

Vibrations