Geometry & MOs

Info

ID:	296913
PubChem CID:	117600508
Reduced:	BrNO3C17H24 (1)
Stoich.:	ABC3D17E24 (1)
Weight, g/mol:	251.094629
ΔH_f, kcal/mol:	-146.75
Dipole, Da:	5.61
IP(EA), eV:	-9.27(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-2-(3-pyridin-3-ylphenyl)ethane-1,2-dione

Drug info:

PubChemData

Smile

CCCC[C@H](CC1=CC=C(C=C1)Br)NC(=O)CCC(=O)OC

DOS

IR

Vibrations