Geometry & MOs

Info

ID:	341056
PubChem CID:	127263491
Reduced:	ClFNOC19H21 (1)
Stoich.:	ABCDE19F21 (1)
Weight, g/mol:	297.152892
ΔH_f, kcal/mol:	-79.34
Dipole, Da:	4.1
IP(EA), eV:	-8.68(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-9-fluoro-3a-methyl-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrole

Drug info:

PubChemData

Smile

CC12CN(CC1C3=C(C=CC=C3F)OC2)CC4=CC=CC=C4.Cl

DOS

IR

Vibrations