Geometry & MOs

Info

ID:	341029
PubChem CID:	127263464
Reduced:	FON2H17C19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	327.127072
ΔH_f, kcal/mol:	40.67
Dipole, Da:	11.63
IP(EA), eV:	-7.48(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C2C3=C(C=CC=C3F)OCC2(CN1CC4=CC=CC=C4)C#N

DOS

IR

Vibrations