Geometry & MOs

Info

ID:	413441
PubChem CID:	135086390
Reduced:	NO5C15H17 (1)
Stoich.:	AB5C15D17 (1)
Weight, g/mol:	156.078644
ΔH_f, kcal/mol:	-184.79
Dipole, Da:	6.4
IP(EA), eV:	-9.33(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hex-4-yn-3-yl methyl carbonate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=C(C(=O)OC)OC(=O)C)NC(=O)C

DOS

IR

Vibrations