Geometry & MOs

Info

ID:	347310
PubChem CID:	127272104
Reduced:	SO2N4C20H30 (1)
Stoich.:	AB2C4D20E30 (1)
Weight, g/mol:	394.294391
ΔH_f, kcal/mol:	-26.46
Dipole, Da:	3.0
IP(EA), eV:	-8.87(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetylpiperazin-1-yl)-2-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCN(CC2)C(C)C3=NN=C(O3)C4=CC=CS4

DOS

IR

Vibrations