Geometry & MOs

Info

ID:	157952
PubChem CID:	56459341
Reduced:	O4N5C24H33 (1)
Stoich.:	A4B5C24D33 (1)
Weight, g/mol:	414.263091
ΔH_f, kcal/mol:	-112.57
Dipole, Da:	3.69
IP(EA), eV:	-8.76(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-(morpholin-4-ylmethyl)benzoyl]piperazin-1-yl]-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN(C(C1)C(=O)N2CCN(CC2)CC(=O)N3CCCCC3)C4=CC=CC=C4

DOS

IR

Vibrations