Geometry & MOs

Info

ID:	386370
PubChem CID:	134981540
Reduced:	O2C13H16 (1)
Stoich.:	A2B13C16 (1)
Weight, g/mol:	223.157229
ΔH_f, kcal/mol:	-73.19
Dipole, Da:	1.4
IP(EA), eV:	-8.96(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,7R,7aR)-N,N-diethyl-2,3,3a,4,7,7a-hexahydro-1-benzofuran-7-carboxamide

Drug info:

PubChemData

Smile

C/C(=C(\C)/OC(=O)C)/CC1=CC=CC=C1

DOS

IR

Vibrations