Geometry & MOs

Info

ID:	411036
PubChem CID:	135083845
Reduced:	NBr2C9H9 (1)
Stoich.:	AB2C9D9 (1)
Weight, g/mol:	271.931096
ΔH_f, kcal/mol:	33.63
Dipole, Da:	1.86
IP(EA), eV:	-8.47(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6,7-trichloro-3,1-benzoxazepine-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N)C=C(Br)Br

DOS

IR

Vibrations