Geometry & MOs

Info

ID:	213133
PubChem CID:	81062970
Reduced:	O3N4C10H16 (1)
Stoich.:	A3B4C10D16 (1)
Weight, g/mol:	271.120843
ΔH_f, kcal/mol:	-97.1
Dipole, Da:	6.09
IP(EA), eV:	-10.32(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(naphthalene-1-carbonylamino)butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C(C)N1C=NC=N1

DOS

IR

Vibrations