Geometry & MOs

Info

ID:	21016
PubChem CID:	586769
Reduced:	NO5C13H17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	267.110673
ΔH_f, kcal/mol:	-194.12
Dipole, Da:	3.88
IP(EA), eV:	-8.38(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(2,5-dimethoxyanilino)-4-oxobutanoate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)NC(=O)CCC(=O)OC

DOS

IR

Vibrations