Geometry & MOs

Info

ID:	76355
PubChem CID:	48424822
Reduced:	NO2C9H13 (2)
Stoich.:	AB2C9D13 (2)
Weight, g/mol:	255.183444
ΔH_f, kcal/mol:	-167.12
Dipole, Da:	3.77
IP(EA), eV:	-9.36(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-(3-ethoxypiperidin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CCOC1CCCN(C1)C(=O)C(CC2=CC=CC=C2)NC(=O)OC

DOS

IR

Vibrations