Geometry & MOs

Info

ID:	424548
PubChem CID:	135123089
Reduced:	ClON2C8H17 (1)
Stoich.:	ABC2D8E17 (1)
Weight, g/mol:	256.06147
ΔH_f, kcal/mol:	-92.39
Dipole, Da:	7.31
IP(EA), eV:	-9.52(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-2-ethyl-3,5-dihydro-2H-pyrido[2,3-f][1,4]oxazepine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC1CNCC(=O)N(C1)C.Cl

DOS

IR

Vibrations