Geometry & MOs

Info

ID:	272022
PubChem CID:	103717483
Reduced:	N2O3C8H10 (1)
Stoich.:	A2B3C8D10 (1)
Weight, g/mol:	236.116092
ΔH_f, kcal/mol:	-75.41
Dipole, Da:	8.08
IP(EA), eV:	-9.17(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-(1,4-oxazepane-4-carbonyl)-1H-pyridin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=CN1)C(=O)NOC

DOS

IR

Vibrations