Geometry & MOs

Info

ID:	294314
PubChem CID:	117452743
Reduced:	ClNOC16H24 (1)
Stoich.:	ABCD16E24 (1)
Weight, g/mol:	281.154642
ΔH_f, kcal/mol:	-55.86
Dipole, Da:	3.12
IP(EA), eV:	-8.96(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Cl)OCC2CCC2)CC(C)(C)N

DOS

IR

Vibrations