Geometry & MOs

Info

ID:	413137
PubChem CID:	135086081
Reduced:	NO4C15H17 (1)
Stoich.:	AB4C15D17 (1)
Weight, g/mol:	276.191172
ΔH_f, kcal/mol:	-129.08
Dipole, Da:	1.26
IP(EA), eV:	-9.18(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hexylsulfanylethynyl)adamantane

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/C1=CC=CC=C1NC(=O)OCC=C

DOS

IR

Vibrations