Geometry & MOs

Info

ID:	232942
PubChem CID:	87577760
Reduced:	ClO2N4C13H19 (1)
Stoich.:	AB2C4D13E19 (1)
Weight, g/mol:	199.084458
ΔH_f, kcal/mol:	-62.72
Dipole, Da:	2.65
IP(EA), eV:	-9.15(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dimethylamino)-2-methyl-4-methylidenepent-2-enedioic acid

Drug info:

PubChemData

Smile

CC(C)COC(=O)N1CCN(CC1)C2=NC=CN=C2Cl

DOS

IR

Vibrations