Geometry & MOs

Info

ID:	277096
PubChem CID:	103826688
Reduced:	BrClN2O2C14H16 (1)
Stoich.:	ABC2D2E14F16 (1)
Weight, g/mol:	364.98182
ΔH_f, kcal/mol:	-82.19
Dipole, Da:	2.24
IP(EA), eV:	-9.35(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-5-chlorophenyl)-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone

Drug info:

PubChemData

Smile

CC(CN1CCCC1=O)NC(=O)C2=CC(=CC(=C2)Br)Cl

DOS

IR

Vibrations