Geometry & MOs

Info

ID:	433174
PubChem CID:	135173311
Reduced:	NO3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	305.14495
ΔH_f, kcal/mol:	-138.85
Dipole, Da:	2.82
IP(EA), eV:	-9.48(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopropyl-[4-[(4-methylphenyl)sulfanyloxymethyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

COC(=O)C1CCC(CC1)C(=O)N2CCC2

DOS

IR

Vibrations