Geometry & MOs

Info

ID:	296217
PubChem CID:	117561271
Reduced:	NO4C13H17 (1)
Stoich.:	AB4C13D17 (1)
Weight, g/mol:	267.110673
ΔH_f, kcal/mol:	-169.35
Dipole, Da:	6.4
IP(EA), eV:	-8.47(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-ethoxyanilino)methyl]butanedioic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NCC(CC(=O)O)C(=O)O)C

DOS

IR

Vibrations