Geometry & MOs

Info

ID:	400013
PubChem CID:	135044507
Reduced:	NO2C11H15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	269.126323
ΔH_f, kcal/mol:	-41.84
Dipole, Da:	2.53
IP(EA), eV:	-9.39(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-2-cyano-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyloxy]but-2-enoate

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1C(=O)NOC

DOS

IR

Vibrations