Geometry & MOs

Info

ID:	213676
PubChem CID:	81064591
Reduced:	N3O3C15H17 (1)
Stoich.:	A3B3C15D17 (1)
Weight, g/mol:	265.131408
ΔH_f, kcal/mol:	-78.32
Dipole, Da:	3.78
IP(EA), eV:	-9.51(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-ethoxybenzoyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=C(NN=C1)C2=CC=CC=C2

DOS

IR

Vibrations