Geometry & MOs

Info

ID:	212162
PubChem CID:	81059688
Reduced:	NO4C9H15 (1)
Stoich.:	AB4C9D15 (1)
Weight, g/mol:	243.147058
ΔH_f, kcal/mol:	-156.2
Dipole, Da:	5.48
IP(EA), eV:	-9.7(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethyl-4-[methyl(2-propan-2-yloxyethyl)amino]-4-oxobut-2-enoic acid

Drug info:

PubChemData

Smile

CCOCCN(C)C(=O)/C=C/C(=O)O

DOS

IR

Vibrations