Geometry & MOs

Info

ID:	392419
PubChem CID:	135015767
Reduced:	SN2O3C21H22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	272.120115
ΔH_f, kcal/mol:	-37.96
Dipole, Da:	5.33
IP(EA), eV:	-9.45(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-methylphenyl)prop-2-ynoxy]naphthalene

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)S(=O)(=O)/C(=C(/CCC(=C)C2=CC=CC=C2)\[O-])/[N+]#N)C

DOS

IR

Vibrations