Geometry & MOs

Info

ID:	152290
PubChem CID:	56311189
Reduced:	ClO3N4C22H23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	387.252192
ΔH_f, kcal/mol:	-66.01
Dipole, Da:	5.98
IP(EA), eV:	-8.71(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1CC2=NC(=O)C3=C(N2)C=CC(=C3)Cl)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations