Geometry & MOs

Info

ID:	399889
PubChem CID:	135043517
Reduced:	NOC6H7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	164.120115
ΔH_f, kcal/mol:	-17.7
Dipole, Da:	4.54
IP(EA), eV:	-8.62(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,8aR)-6,6-dimethyl-1,3,3a,8a-tetrahydrocyclohepta[c]furan

Drug info:

PubChemData

Smile

C/C(=N\OC)/C(=O)N1CCC2=CC=CC=C21

DOS

IR

Vibrations