Geometry & MOs

Info

ID:	341028
PubChem CID:	127263463
Reduced:	SN3O3C14H21 (1)
Stoich.:	AB3C3D14E21 (1)
Weight, g/mol:	308.132491
ΔH_f, kcal/mol:	-136.63
Dipole, Da:	6.18
IP(EA), eV:	-8.85(-0.34)
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-carbonitrile

Drug info:

PubChemData

Smile

CC(=O)NC1=CC(=NS1)C2CCN(C2)C(=O)OC(C)(C)C

DOS

IR

Vibrations