Geometry & MOs

Info

ID:	150003
PubChem CID:	53789687
Reduced:	O3C11H17 (2)
Stoich.:	A3B11C17 (2)
Weight, g/mol:	109.052764
ΔH_f, kcal/mol:	-276.9
Dipole, Da:	4.05
IP(EA), eV:	-9.5(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxypenta-2,4-dienenitrile

Drug info:

PubChemData

Smile

CC(=O)OC(=CCCCC[C@@H]1[C@H](CCC1=O)C=CCC(C)(C)COC)C(=O)O

DOS

IR

Vibrations