Geometry & MOs

Info

ID:	306178
PubChem CID:	125002203
Reduced:	O3N4C19H26 (1)
Stoich.:	A3B4C19D26 (1)
Weight, g/mol:	351.100125
ΔH_f, kcal/mol:	-46.14
Dipole, Da:	3.07
IP(EA), eV:	-8.44(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylpyrimidin-5-yl)-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CCC1=NOC(=C1)C(=O)N2CCO[C@@H](C2)CCC3=CC(=NC=C3)N(C)C

DOS

IR

Vibrations