Geometry & MOs

Info

ID:	393743
PubChem CID:	135021589
Reduced:	NO3H17C19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	280.109944
ΔH_f, kcal/mol:	-19.09
Dipole, Da:	5.88
IP(EA), eV:	-8.78(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dimethoxy-2-(3-prop-2-ynoxyprop-1-ynyl)naphthalene

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C#CN2[C@H](COC2=O)CC3=CC=CC=C3

DOS

IR

Vibrations