Geometry & MOs

Info

ID:	294615
PubChem CID:	117474034
Reduced:	ClNO2C16H20 (1)
Stoich.:	ABC2D16E20 (1)
Weight, g/mol:	293.154642
ΔH_f, kcal/mol:	-65.79
Dipole, Da:	2.94
IP(EA), eV:	-9.05(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(piperidin-3-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(C(=C1)Cl)OC)C2(CCC2)N=C=O

DOS

IR

Vibrations