Geometry & MOs

Info

ID:	331455
PubChem CID:	127248862
Reduced:	FO3N4C24H31 (1)
Stoich.:	AB3C4D24E31 (1)
Weight, g/mol:	426.237939
ΔH_f, kcal/mol:	-141.47
Dipole, Da:	3.67
IP(EA), eV:	-8.91(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(dimethylamino)-5-pyrimidin-5-ylpyrimidin-4-yl]morpholin-4-yl]-2-(1-hydroxycyclohexyl)ethanone

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CN(CCO2)C(=O)CC3(CCCCC3)O)C4=CC(=CC=C4)F

DOS

IR

Vibrations