Geometry & MOs

Info

ID:	331392
PubChem CID:	127248799
Reduced:	O3N6C23H30 (1)
Stoich.:	A3B6C23D30 (1)
Weight, g/mol:	441.163474
ΔH_f, kcal/mol:	-64.23
Dipole, Da:	3.38
IP(EA), eV:	-8.62(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CN(CCO2)C(=O)CN3CCCC3)C4=CC=C(C=C4)C(=O)N

DOS

IR

Vibrations