Geometry & MOs

Info

ID:	150712
PubChem CID:	53790407
Reduced:	O3S3N5C23H25 (1)
Stoich.:	A3B3C5D23E25 (1)
Weight, g/mol:	255.125929
ΔH_f, kcal/mol:	-3.15
Dipole, Da:	9.33
IP(EA), eV:	-8.62(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,9bS)-2-(furan-2-ylmethyl)-3,4,4a,9b-tetrahydro-1H-[1]benzofuro[3,2-c]pyridine

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)COC2=CC=CC(=C2)C3=CSC(=N3)C4=C(SC(=C4)C(=N)C(=O)N)SC

DOS

IR

Vibrations