Geometry & MOs

Info

ID:	399560
PubChem CID:	135040929
Reduced:	CHN (7)
Stoich.:	ABC (7)
Weight, g/mol:	228.136159
ΔH_f, kcal/mol:	146.11
Dipole, Da:	9.51
IP(EA), eV:	-9.25(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2E,4R,5S)-5-(methoxymethoxy)-3,4-dimethylhepta-2,6-dienoate

Drug info:

PubChemData

Smile

CN(C)C1=NC(=NC2=NNN=C21)C#N

DOS

IR

Vibrations