Geometry & MOs

Info

ID:	80928
PubChem CID:	49853921
Reduced:	FN4O5C17H17 (1)
Stoich.:	AB4C5D17E17 (1)
Weight, g/mol:	406.06405
ΔH_f, kcal/mol:	-194.91
Dipole, Da:	5.47
IP(EA), eV:	-9.65(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromophenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide

Drug info:

PubChemData

Smile

C1COCCN1C2=CC(=O)N=C(N2)CC(=O)NC3=CC(=C(C=C3)F)C(=O)O

DOS

IR

Vibrations