Geometry & MOs

Info

ID:	282675
PubChem CID:	103935779
Reduced:	NO3C15H25 (1)
Stoich.:	AB3C15D25 (1)
Weight, g/mol:	246.173213
ΔH_f, kcal/mol:	-129.34
Dipole, Da:	3.67
IP(EA), eV:	-8.85(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dimethylpiperazin-1-yl)-1-phenylpropan-1-one

Drug info:

PubChemData

Smile

CCC(CO)(CO)NC(C)CC1=CC=CC=C1OC

DOS

IR

Vibrations