Geometry & MOs

Info

ID:	122536
PubChem CID:	50811026
Reduced:	BrN3O3H22C23 (1)
Stoich.:	AB3C3D22E23 (1)
Weight, g/mol:	366.169191
ΔH_f, kcal/mol:	-18.84
Dipole, Da:	10.18
IP(EA), eV:	-8.88(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dimethylphenyl)-2-(1,5,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl)acetamide

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)C(=O)C2CC(=O)N=C3C2=C(NN3C4=CC=C(C=C4)Br)C

DOS

IR

Vibrations