Geometry & MOs

Info

ID:	403160
PubChem CID:	135059016
Reduced:	NPO9C14H20 (1)
Stoich.:	ABC9D14E20 (1)
Weight, g/mol:	180.034193
ΔH_f, kcal/mol:	-437.23
Dipole, Da:	2.18
IP(EA), eV:	-9.74(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2,6-dimethyl-1-benzofuran

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)NCC[C@@H]([C@H](C(=O)COP(=O)(O)O)O)O

DOS

IR

Vibrations