Geometry & MOs

Info

ID:	364093
PubChem CID:	127313882
Reduced:	ClO2N4C20H27 (1)
Stoich.:	AB2C4D20E27 (1)
Weight, g/mol:	361.203528
ΔH_f, kcal/mol:	-15.39
Dipole, Da:	1.88
IP(EA), eV:	-8.7(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-4-[4-(oxan-4-ylmethyl)piperazin-1-yl]sulfonylmorpholine

Drug info:

PubChemData

Smile

CC(C1=NC(=NO1)C2=CC=C(C=C2)Cl)N3CCN(CC3)CC4CCOCC4

DOS

IR

Vibrations