Geometry & MOs

Info

ID:	149645
PubChem CID:	53789319
Reduced:	BrON3H16C19 (2)
Stoich.:	ABC3D16E19 (2)
Weight, g/mol:	181.073893
ΔH_f, kcal/mol:	85.18
Dipole, Da:	5.87
IP(EA), eV:	-7.62(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2R)-2-aminopropyl]cyclohex-5-ene-1,2,4-trione

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)CCBr)C2=C3C=CC(=CC4=CC=C(N4)C=C5C=CC(=C(C6=CC=C2N6)C7=CC(=CC=C7)NC(=O)CCBr)N5)N3

DOS

IR

Vibrations