Geometry & MOs

Info

ID:	75767
PubChem CID:	48423954
Reduced:	NSO2C18H23 (1)
Stoich.:	ABC2D18E23 (1)
Weight, g/mol:	331.214744
ΔH_f, kcal/mol:	-58.93
Dipole, Da:	1.9
IP(EA), eV:	-8.52(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[4-(3,4-dimethylphenoxy)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(SC2=CC=CC=C12)C(C)NC(=O)C(C)OCC3CC3

DOS

IR

Vibrations