Geometry & MOs

Info

ID:	396664
PubChem CID:	135029000
Reduced:	N3O4C16H19 (1)
Stoich.:	A3B4C16D19 (1)
Weight, g/mol:	284.08373
ΔH_f, kcal/mol:	-121.2
Dipole, Da:	3.66
IP(EA), eV:	-9.25(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-naphthalen-2-yl-4-phenylbut-3-yne-1,2-dione

Drug info:

PubChemData

Smile

CN1C=NC=C1C[C@@H](C(=O)OC)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations