Geometry & MOs

Info

ID:	293560
PubChem CID:	117393065
Reduced:	ClNOC14H22 (1)
Stoich.:	ABCD14E22 (1)
Weight, g/mol:	255.084848
ΔH_f, kcal/mol:	-61.1
Dipole, Da:	3.5
IP(EA), eV:	-9.07(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-chloro-5-methylsulfanylphenyl)methyl]piperidine

Drug info:

PubChemData

Smile

CC1=C(C=C(C(=C1C(C)CN)OC)C(C)C)Cl

DOS

IR

Vibrations