Geometry & MOs

Info

ID:	411046
PubChem CID:	135083855
Reduced:	N2O3C11H16 (1)
Stoich.:	A2B3C11D16 (1)
Weight, g/mol:	230.115424
ΔH_f, kcal/mol:	-123.6
Dipole, Da:	2.85
IP(EA), eV:	-9.46(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-methylidene-3-[(2-methylpropan-2-yl)oxycarbonyloxy]butanoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=O)NC1C)C2CC2

DOS

IR

Vibrations