Geometry & MOs

Info

ID:	54180
PubChem CID:	14745117
Reduced:	BrON2H25C28 (1)
Stoich.:	ABC2D25E28 (1)
Weight, g/mol:	211.120843
ΔH_f, kcal/mol:	86.72
Dipole, Da:	4.53
IP(EA), eV:	-7.91(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-dioxocyclohexyl)-N,N-dimethylpropanamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)/C=C/C(=C\C2=NC3=C(C=C2)C=C(C=C3)OC)/C4=CC=C(C=C4)Br

DOS

IR

Vibrations