Geometry & MOs

Info

ID:	331479
PubChem CID:	127248886
Reduced:	O4N5C21H27 (1)
Stoich.:	A4B5C21D27 (1)
Weight, g/mol:	413.16856
ΔH_f, kcal/mol:	-112.18
Dipole, Da:	2.91
IP(EA), eV:	-8.8(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluorophenyl)-N,N-dimethyl-4-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CN(CCO2)C(=O)CCC(=O)N)C3=CC(=CC=C3)OC

DOS

IR

Vibrations