Geometry & MOs

Info

ID:	299567
PubChem CID:	117687776
Reduced:	F2O2N4H12C19 (1)
Stoich.:	A2B2C4D12E19 (1)
Weight, g/mol:	194.167065
ΔH_f, kcal/mol:	2.75
Dipole, Da:	7.58
IP(EA), eV:	-9.63(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-diethyl-7-methyl-3a,4,7,7a-tetrahydro-1H-2-benzofuran

Drug info:

PubChemData

Smile

C1C2(C3=C(N=CC=C3)OC4=C2C(=C(C=C4)C5=C(N=CC=C5)F)F)N=C(O1)N

DOS

IR

Vibrations