Geometry & MOs

Info

ID:	76141
PubChem CID:	48424498
Reduced:	ClNO3C19H24 (1)
Stoich.:	ABC3D19E24 (1)
Weight, g/mol:	255.183444
ΔH_f, kcal/mol:	-100.37
Dipole, Da:	4.25
IP(EA), eV:	-9.35(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-(4-ethoxypiperidin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCC(CC1)C(=O)C2=CC=C(C=C2)Cl)OCC3CC3

DOS

IR

Vibrations