Geometry & MOs

Info

ID:	213272
PubChem CID:	81063301
Reduced:	N2O5C13H16 (1)
Stoich.:	A2B5C13D16 (1)
Weight, g/mol:	297.076786
ΔH_f, kcal/mol:	-133.31
Dipole, Da:	6.16
IP(EA), eV:	-10.3(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC(C)CC(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations