Geometry & MOs

Info

ID:	331478
PubChem CID:	127248885
Reduced:	FO3N5C20H24 (1)
Stoich.:	AB3C5D20E24 (1)
Weight, g/mol:	413.206304
ΔH_f, kcal/mol:	-114.51
Dipole, Da:	4.25
IP(EA), eV:	-8.72(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[2-(dimethylamino)-5-(3-methoxyphenyl)pyrimidin-4-yl]morpholin-4-yl]-4-oxobutanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations