Geometry & MOs

Info

ID:	28317
PubChem CID:	827018
Reduced:	ClO2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	244.011349
ΔH_f, kcal/mol:	-75.84
Dipole, Da:	2.64
IP(EA), eV:	-9.7(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chlorobenzo[b][1]benzothiepine

Drug info:

PubChemData

Smile

C1CCC(C1)(C(=O)C2=CC=CC=C2Cl)O

DOS

IR

Vibrations