Geometry & MOs

Info

ID:	341058
PubChem CID:	127263493
Reduced:	ClFNO2C20H23 (1)
Stoich.:	ABCD2E20F23 (1)
Weight, g/mol:	327.163457
ΔH_f, kcal/mol:	-121.31
Dipole, Da:	3.89
IP(EA), eV:	-8.95(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCC12CN(CC1C3=C(C=CC=C3F)OC2)CC4=CC=CC=C4.Cl

DOS

IR

Vibrations