Geometry & MOs

Info

ID:	375140
PubChem CID:	131472646
Reduced:	ClO3C9H9 (1)
Stoich.:	AB3C9D9 (1)
Weight, g/mol:	256.00989
ΔH_f, kcal/mol:	-127.27
Dipole, Da:	2.14
IP(EA), eV:	-9.19(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-bromo-5-methoxy-2,3,4,5-tetrahydro-1-benzoxepine

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)O)C(=O)OC)Cl

DOS

IR

Vibrations