Geometry & MOs

Info

ID:	296216
PubChem CID:	117561267
Reduced:	NO4C13H15 (1)
Stoich.:	AB4C13D15 (1)
Weight, g/mol:	251.115758
ΔH_f, kcal/mol:	-149.94
Dipole, Da:	6.43
IP(EA), eV:	-8.65(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,4-dimethylanilino)methyl]butanedioic acid

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC=C21)CC(CC(=O)O)C(=O)O

DOS

IR

Vibrations