Geometry & MOs

Info

ID:	152884
PubChem CID:	56311966
Reduced:	N3O3C24H29 (1)
Stoich.:	A3B3C24D29 (1)
Weight, g/mol:	387.252192
ΔH_f, kcal/mol:	-87.25
Dipole, Da:	4.69
IP(EA), eV:	-8.51(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)N2CCCC3=CC=CC=C32)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations