Geometry & MOs

Info

ID:	292978
PubChem CID:	117367726
Reduced:	N2O3C13H14 (1)
Stoich.:	A2B3C13D14 (1)
Weight, g/mol:	246.125594
ΔH_f, kcal/mol:	-68.59
Dipole, Da:	7.55
IP(EA), eV:	-9.12(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-dimethyl-3H-1-benzofuran-5-yl)cyclobutane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CC1(C2=CC=C(C=C2)N3CCNC(=O)C3=O)O

DOS

IR

Vibrations