Geometry & MOs

Info

ID:	198527
PubChem CID:	79114077
Reduced:	NO4C13H15 (1)
Stoich.:	AB4C13D15 (1)
Weight, g/mol:	246.16198
ΔH_f, kcal/mol:	-47.66
Dipole, Da:	2.8
IP(EA), eV:	-10.25(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-pent-4-enoxy-1-(4-propylphenyl)ethanone

Drug info:

PubChemData

Smile

C=CCCCOCC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

DOS

IR

Vibrations