Geometry & MOs

Info

ID:	259427
PubChem CID:	103165646
Reduced:	SCl2C10H12 (1)
Stoich.:	AB2C10D12 (1)
Weight, g/mol:	277.123342
ΔH_f, kcal/mol:	3.97
Dipole, Da:	2.0
IP(EA), eV:	-9.47(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(1-chloro-2-cyclobutylethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one

Drug info:

PubChemData

Smile

C1CC(C1)CC(C2=CC=C(S2)Cl)Cl

DOS

IR

Vibrations