Geometry & MOs

Info

ID:	339414
PubChem CID:	127261310
Reduced:	N3O3C13H19 (1)
Stoich.:	A3B3C13D19 (1)
Weight, g/mol:	239.131014
ΔH_f, kcal/mol:	-12.17
Dipole, Da:	6.03
IP(EA), eV:	-8.57(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(dimethylamino)-2-phenylphenyl]ethanone

Drug info:

PubChemData

Smile

CCCCCOC1=C(C=C(C=C1)N/N=C/C)[N+](=O)[O-]

DOS

IR

Vibrations