Geometry & MOs

Info

ID:	48864
PubChem CID:	11528413
Reduced:	NC11H21 (1)
Stoich.:	AB11C21 (1)
Weight, g/mol:	168.078644
ΔH_f, kcal/mol:	-2.11
Dipole, Da:	1.62
IP(EA), eV:	-9.46(1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,3a,4,5,6-hexahydro-1-benzofuran-7-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C=NC(CC=C)C(C)C

DOS

IR

Vibrations