Geometry & MOs

Info

ID:	48832
PubChem CID:	11528378
Reduced:	NO2C5H11 (1)
Stoich.:	AB2C5D11 (1)
Weight, g/mol:	154.09938
ΔH_f, kcal/mol:	-98.12
Dipole, Da:	1.81
IP(EA), eV:	-9.1(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,3R)-3,4-dimethylhept-4-en-6-yne-1,3-diol

Drug info:

PubChemData

Smile

CC(=O)OCCNC

DOS

IR

Vibrations