Geometry & MOs

Info

ID:	424537
PubChem CID:	135123053
Reduced:	ClNOC13H20 (1)
Stoich.:	ABCD13E20 (1)
Weight, g/mol:	236.116092
ΔH_f, kcal/mol:	-67.5
Dipole, Da:	7.03
IP(EA), eV:	-9.44(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-propan-2-yl-3,5-dihydro-2H-pyrido[2,3-f][1,4]oxazepine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(CCNC1)OCC2=CC=CC=C2.Cl

DOS

IR

Vibrations