Geometry & MOs

Info

ID:	151572
PubChem CID:	53837805
Reduced:	O2N4C9H12 (1)
Stoich.:	A2B4C9D12 (1)
Weight, g/mol:	200.104859
ΔH_f, kcal/mol:	-19.72
Dipole, Da:	4.06
IP(EA), eV:	-9.44(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylidene-5-[2-(oxiran-2-yl)ethoxy]pentanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)NN=C(C)C1=NC=CN=C1

DOS

IR

Vibrations