Geometry & MOs

Info

ID:	246220
PubChem CID:	103050084
Reduced:	FNCl2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	305.061885
ΔH_f, kcal/mol:	-36.62
Dipole, Da:	1.78
IP(EA), eV:	-9.4(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1,4-benzoxazepin-5-one

Drug info:

PubChemData

Smile

C1CC1(CCCl)CNCC2=C(C=CC(=C2)Cl)F

DOS

IR

Vibrations