Geometry & MOs

Info

ID:	152046
PubChem CID:	56310897
Reduced:	O2N3C23H35 (1)
Stoich.:	A2B3C23D35 (1)
Weight, g/mol:	385.272927
ΔH_f, kcal/mol:	-97.54
Dipole, Da:	4.98
IP(EA), eV:	-8.74(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethylpiperidin-1-yl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1CC(CN(C1)C(=O)C(C)N2CCN(CC2)C(=O)CC3=CC=CC=C3C)C

DOS

IR

Vibrations