Geometry & MOs

Info

ID:	294315
PubChem CID:	117452800
Reduced:	ClNOC16H24 (1)
Stoich.:	ABCD16E24 (1)
Weight, g/mol:	281.154642
ΔH_f, kcal/mol:	-62.11
Dipole, Da:	3.91
IP(EA), eV:	-8.71(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-chloro-2-methoxy-5-propan-2-ylphenyl)methyl]piperidine

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C(=C1)OC)Cl)CC2CCCCN2

DOS

IR

Vibrations