Geometry & MOs

Info

ID:	391739
PubChem CID:	135009123
Reduced:	O4C13H14 (1)
Stoich.:	A4B13C14 (1)
Weight, g/mol:	342.136828
ΔH_f, kcal/mol:	-137.27
Dipole, Da:	4.99
IP(EA), eV:	-9.59(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-naphthalen-1-yl-4-(2-nitropropan-2-yl)quinoline

Drug info:

PubChemData

Smile

C1C=CC(=O)O[C@@H]1[C@H]([C@@H](C2=CC=CC=C2)O)O

DOS

IR

Vibrations