Geometry & MOs

Info

ID:	322024
PubChem CID:	126668309
Reduced:	NO5H27C28 (1)
Stoich.:	AB5C27D28 (1)
Weight, g/mol:	164.120115
ΔH_f, kcal/mol:	-107.03
Dipole, Da:	3.83
IP(EA), eV:	-8.94(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylcyclohexyl)furan

Drug info:

PubChemData

Smile

COC1=C(C2=C(CN(C(C2)C(=O)O)C(=O)C3(CC3)C4=CC=CC=C4)C=C1)OCC5=CC=CC=C5

DOS

IR

Vibrations