Geometry & MOs

Info

ID:	152199
PubChem CID:	56311077
Reduced:	N3O3C23H35 (1)
Stoich.:	A3B3C23D35 (1)
Weight, g/mol:	401.267842
ΔH_f, kcal/mol:	-130.64
Dipole, Da:	4.73
IP(EA), eV:	-8.48(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CC(CN(C1)C(=O)C(C)N2CCN(CC2C)C3=CC=C(C=C3)C(=O)OC)C

DOS

IR

Vibrations