Geometry & MOs

Info

ID:	411407
PubChem CID:	135084230
Reduced:	NO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	196.109944
ΔH_f, kcal/mol:	-39.53
Dipole, Da:	3.3
IP(EA), eV:	-9.57(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[(E)-3-but-3-ynoxybut-2-enoxy]prop-2-en-1-ol

Drug info:

PubChemData

Smile

C#CC(=O)NCCOCCOCC1=CC=CC=C1

DOS

IR

Vibrations