Geometry & MOs

Info

ID:	213832
PubChem CID:	81065172
Reduced:	N3O3C15H17 (1)
Stoich.:	A3B3C15D17 (1)
Weight, g/mol:	292.142307
ΔH_f, kcal/mol:	-77.69
Dipole, Da:	3.12
IP(EA), eV:	-9.22(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(acetamidomethyl)benzoyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=CC(=NN1)C2=CC=CC=C2

DOS

IR

Vibrations