Geometry & MOs

Info

ID:	76274
PubChem CID:	48424710
Reduced:	NO2C12H15 (2)
Stoich.:	AB2C12D15 (2)
Weight, g/mol:	331.214744
ΔH_f, kcal/mol:	-152.89
Dipole, Da:	1.8
IP(EA), eV:	-8.56(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[4-(2,5-dimethylphenoxy)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)OC2CCN(CC2)C(=O)C(CC3=CC=CC=C3)NC(=O)OC

DOS

IR

Vibrations