Geometry & MOs

Info

ID:	213577
PubChem CID:	81064252
Reduced:	N3O4C14H15 (1)
Stoich.:	A3B4C14D15 (1)
Weight, g/mol:	278.126657
ΔH_f, kcal/mol:	-102.99
Dipole, Da:	2.63
IP(EA), eV:	-10.06(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-acetamidobenzoyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=CC=C(C=C1)C2=NN=CO2

DOS

IR

Vibrations