Geometry & MOs

Info

ID:	331404
PubChem CID:	127248811
Reduced:	ON2C8H8 (3)
Stoich.:	AB2C8D8 (3)
Weight, g/mol:	427.147824
ΔH_f, kcal/mol:	12.02
Dipole, Da:	3.57
IP(EA), eV:	-8.88(-0.85)
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]-(4-methyl-1,3-thiazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(OC2=CC=CC=C12)C(=O)N3CCOC(C3)C4=NC(=NC=C4C5=CN=CN=C5)N(C)C

DOS

IR

Vibrations