Geometry & MOs

Info

ID:	392220
PubChem CID:	135013752
Reduced:	O5H18C20 (1)
Stoich.:	A5B18C20 (1)
Weight, g/mol:	194.13068
ΔH_f, kcal/mol:	-139.03
Dipole, Da:	6.61
IP(EA), eV:	-10.17(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylidene-1-[(1S,2S)-2-propylcyclopropyl]butane-1,3-dione

Drug info:

PubChemData

Smile

CC(CC(=O)C(=C)OC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2

DOS

IR

Vibrations