Geometry & MOs

Info

ID:	283989
PubChem CID:	104024331
Reduced:	ClNO3H14C16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	345.03644
ΔH_f, kcal/mol:	-74.57
Dipole, Da:	6.16
IP(EA), eV:	-8.66(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-bromo-2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)phenyl]ethanone

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC=C2OC1)C3=C(C=C(C=C3)Cl)C(=O)O

DOS

IR

Vibrations