Geometry & MOs

Info

ID:	373772
PubChem CID:	131319909
Reduced:	O2N3C11H19 (1)
Stoich.:	A2B3C11D19 (1)
Weight, g/mol:	211.040006
ΔH_f, kcal/mol:	-67.04
Dipole, Da:	4.38
IP(EA), eV:	-8.91(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-5-hydroxy-1,3,4,5-tetrahydro-1-benzazepin-2-one

Drug info:

PubChemData

Smile

CN1CCN=C1C2(CCNCC2)C(=O)OC

DOS

IR

Vibrations