Geometry & MOs

Info

ID:	213713
PubChem CID:	81064755
Reduced:	N3O3C10H15 (1)
Stoich.:	A3B3C10D15 (1)
Weight, g/mol:	278.126657
ΔH_f, kcal/mol:	-114.34
Dipole, Da:	4.48
IP(EA), eV:	-9.75(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=NN1)C(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations