Geometry & MOs

Info

ID:	427271
PubChem CID:	135156562
Reduced:	N3O3C9H11 (1)
Stoich.:	A3B3C9D11 (1)
Weight, g/mol:	267.085521
ΔH_f, kcal/mol:	-87.97
Dipole, Da:	0.78
IP(EA), eV:	-8.85(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-hydroxyacetyl)-3,5-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-7-yl]carbamic acid

Drug info:

PubChemData

Smile

C1COC2=C(CN1C(=O)O)C=C(C=N2)N

DOS

IR

Vibrations