Geometry & MOs

Info

ID:	283988
PubChem CID:	104024190
Reduced:	ON2C17H28 (1)
Stoich.:	AB2C17D28 (1)
Weight, g/mol:	303.066221
ΔH_f, kcal/mol:	-41.97
Dipole, Da:	2.1
IP(EA), eV:	-8.23(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)benzoic acid

Drug info:

PubChemData

Smile

CCC(CNCC(C)C)N1CCCOC2=CC=CC=C21

DOS

IR

Vibrations