Geometry & MOs

Info

ID:	442645
PubChem CID:	135253624
Reduced:	O2N4H20C25 (1)
Stoich.:	A2B4C20D25 (1)
Weight, g/mol:	158.049843
ΔH_f, kcal/mol:	56.18
Dipole, Da:	3.78
IP(EA), eV:	-8.7(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(chloromethyl)-4-ethyl-3-methylfuran

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)NC(=O)C=C)C2=CC3=C(NC=C3C4=C5C=CCC5=NC=C4)N=C2

DOS

IR

Vibrations