Geometry & MOs

Info

ID:	362017
PubChem CID:	127305370
Reduced:	SN4O4C17H28 (1)
Stoich.:	AB4C4D17E28 (1)
Weight, g/mol:	364.247441
ΔH_f, kcal/mol:	-140.96
Dipole, Da:	4.23
IP(EA), eV:	-9.58(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]butan-1-one

Drug info:

PubChemData

Smile

CCCS(=O)(=O)N1CCCCC1C(=O)N2CCOC(C2)CN3C=CC=N3

DOS

IR

Vibrations