Geometry & MOs

Info

ID:	403290
PubChem CID:	135059585
Reduced:	N2O5C14H16 (1)
Stoich.:	A2B5C14D16 (1)
Weight, g/mol:	318.16198
ΔH_f, kcal/mol:	-87.07
Dipole, Da:	5.35
IP(EA), eV:	-10.63(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-acetyl-2-[(E)-3-(4-methylphenyl)prop-2-enyl]-3,4-dihydronaphthalen-1-one

Drug info:

PubChemData

Smile

CCCCCCOC(=O)C1=NC2=C(O1)C=CC(=C2)[N+](=O)[O-]

DOS

IR

Vibrations