Geometry & MOs

Info

ID:	242452
PubChem CID:	96100187
Reduced:	FO2N4C18H21 (1)
Stoich.:	AB2C4D18E21 (1)
Weight, g/mol:	316.164774
ΔH_f, kcal/mol:	-61.79
Dipole, Da:	4.6
IP(EA), eV:	-9.19(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-ethyl-2-methylpyrimidin-5-yl)-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=NN1)[C@H]2CN(CCO2)C(=O)C3(CCC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations