Geometry & MOs

Info

ID:	399149
PubChem CID:	135038239
Reduced:	SeC8H8 (2)
Stoich.:	AB8C8 (2)
Weight, g/mol:	242.061076
ΔH_f, kcal/mol:	57.09
Dipole, Da:	0.89
IP(EA), eV:	-8.46(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-methyl-5H-benzo[b][1,4]benzodiazepine

Drug info:

PubChemData

Smile

CCC(=C[Se]C1=CC=CC=C1)[Se]C2=CC=CC=C2

DOS

IR

Vibrations