Geometry & MOs

Info

ID:	216311
PubChem CID:	85086029
Reduced:	OC5H8 (3)
Stoich.:	AB5C8 (3)
Weight, g/mol:	259.080435
ΔH_f, kcal/mol:	-136.72
Dipole, Da:	2.93
IP(EA), eV:	-9.9(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dioxo-4a,5,6,7,8,8a-hexahydropyrido[4,3-e][1,3]oxazin-3-yl)ethyl nitrate

Drug info:

PubChemData

Smile

CC(C)C=CC(=O)C(C)CCCC=CC(=O)OC

DOS

IR

Vibrations