Geometry & MOs

Info

ID:	446807
PubChem CID:	135277850
Reduced:	NOC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	262.112443
ΔH_f, kcal/mol:	-52.91
Dipole, Da:	5.0
IP(EA), eV:	-9.81(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(2-chloro-3-propan-2-ylphenyl)propan-2-yl]furan

Drug info:

PubChemData

Smile

CCC(C)(C1=CC=CC(=N1)C)C(C#N)C(=O)OC

DOS

IR

Vibrations