Geometry & MOs

Info

ID:	323941
PubChem CID:	126676647
Reduced:	ON4C9H12 (2)
Stoich.:	AB4C9D12 (2)
Weight, g/mol:	228.11503
ΔH_f, kcal/mol:	17.03
Dipole, Da:	5.52
IP(EA), eV:	-9.03(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(2-methylpent-3-ynyl)-1-benzofuran-4-yl]methanol

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(C1)N2C=C(C=N2)CC3=CC(=NC4=NNN=C34)N

DOS

IR

Vibrations