Geometry & MOs

Info

ID:	331371
PubChem CID:	127248778
Reduced:	FO3N5C21H28 (1)
Stoich.:	AB3C5D21E28 (1)
Weight, g/mol:	417.217618
ΔH_f, kcal/mol:	-105.4
Dipole, Da:	6.52
IP(EA), eV:	-8.56(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]morpholin-4-yl]-N-(2-methoxyethyl)acetamide

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CN(CCO2)CC(=O)NCCOC)C3=CC=C(C=C3)F

DOS

IR

Vibrations