Geometry & MOs

Info

ID:	387989
PubChem CID:	134987695
Reduced:	NO2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	182.13068
ΔH_f, kcal/mol:	-43.59
Dipole, Da:	3.9
IP(EA), eV:	-9.08(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-(2-methylpropylidene)heptane-2,5-dione

Drug info:

PubChemData

Smile

CN/C(=C\C(=O)C1=CC=CC=C1)/OC

DOS

IR

Vibrations