Geometry & MOs

Info

ID:	331435
PubChem CID:	127248842
Reduced:	ON3C12H15 (2)
Stoich.:	AB3C12D15 (2)
Weight, g/mol:	425.186318
ΔH_f, kcal/mol:	16.56
Dipole, Da:	2.2
IP(EA), eV:	-8.69(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC=C1CN2CCOC(C2)C3=NC(=NC=C3C4=CN=CN=C4)N(C)C

DOS

IR

Vibrations