Geometry & MOs

Info

ID:	213497
PubChem CID:	81063919
Reduced:	N2O4C15H16 (1)
Stoich.:	A2B4C15D16 (1)
Weight, g/mol:	291.147058
ΔH_f, kcal/mol:	-94.58
Dipole, Da:	5.79
IP(EA), eV:	-9.66(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carbonyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations