Geometry & MOs

Info

ID:	245716
PubChem CID:	103023099
Reduced:	FO2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	263.152144
ΔH_f, kcal/mol:	-119.24
Dipole, Da:	4.16
IP(EA), eV:	-9.81(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methoxy-3-methylbutyl)-2,3-dihydro-1,4-benzoxazepin-5-one

Drug info:

PubChemData

Smile

CC(C)(CC(=O)C1=CC=CC=C1F)OC

DOS

IR

Vibrations