Geometry & MOs

Info

ID:	362011
PubChem CID:	127305364
Reduced:	N4O4C19H22 (1)
Stoich.:	A4B4C19D22 (1)
Weight, g/mol:	347.141596
ΔH_f, kcal/mol:	-91.41
Dipole, Da:	4.43
IP(EA), eV:	-9.29(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CN2C(=O)C3C4CC(C3C2=O)C=C4)CN5C=CC=N5

DOS

IR

Vibrations