Geometry & MOs

Info

ID:	268612
PubChem CID:	103600201
Reduced:	INOBr2H12C15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	279.041069
ΔH_f, kcal/mol:	13.84
Dipole, Da:	3.68
IP(EA), eV:	-9.28(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-2-(2,4-dioxo-1H-pyrimidin-3-yl)acetamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1Br)NC(=O)C2=C(C=CC(=C2)Br)I

DOS

IR

Vibrations