Geometry & MOs

Info

ID:	49056
PubChem CID:	11528661
Reduced:	NC15H27 (1)
Stoich.:	AB15C27 (1)
Weight, g/mol:	220.983276
ΔH_f, kcal/mol:	-11.62
Dipole, Da:	1.11
IP(EA), eV:	-8.69(1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dichloro-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine

Drug info:

PubChemData

Smile

CC(C)(CC=C)NC1(CCCCC1)CC=C

DOS

IR

Vibrations