Geometry & MOs

Info

ID:	56136
PubChem CID:	17422157
Reduced:	BrN3O3C15H16 (1)
Stoich.:	AB3C3D15E16 (1)
Weight, g/mol:	277.086269
ΔH_f, kcal/mol:	-102.66
Dipole, Da:	2.82
IP(EA), eV:	-8.89(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dioxopyrimidin-1-yl)-N-(3-fluoro-4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)NC(=O)CN2C=C(C(=O)NC2=O)Br

DOS

IR

Vibrations