Geometry & MOs

Info

ID:	425583
PubChem CID:	135126800
Reduced:	NO5C13H15 (1)
Stoich.:	AB5C13D15 (1)
Weight, g/mol:	279.110673
ΔH_f, kcal/mol:	-184.8
Dipole, Da:	5.35
IP(EA), eV:	-9.27(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[[3-(hydroxymethyl)-4-methylanilino]methylidene]propanedioate

Drug info:

PubChemData

Smile

COC(=O)C(=CNC1=CC=CC(=C1)CO)C(=O)OC

DOS

IR

Vibrations