Geometry & MOs

Info

ID:	45668
PubChem CID:	10516309
Reduced:	O3N4C11H14 (1)
Stoich.:	A3B4C11D14 (1)
Weight, g/mol:	272.162374
ΔH_f, kcal/mol:	-84.48
Dipole, Da:	3.42
IP(EA), eV:	-8.99(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-ethyl 3-O-methyl 2-(3,3-dimethylpent-4-enoxy)-2-methylpropanedioate

Drug info:

PubChemData

Smile

C1C(=O)C2=C(NC=N1)N=CN2CCCCC(=O)O

DOS

IR

Vibrations