Geometry & MOs

Info

ID:	238644
PubChem CID:	92764772
Reduced:	OSN5C22H31 (1)
Stoich.:	ABC5D22E31 (1)
Weight, g/mol:	313.215413
ΔH_f, kcal/mol:	18.74
Dipole, Da:	3.75
IP(EA), eV:	-8.41(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S)-8-[3-(4-methylpiperazin-1-yl)propyl]-6,7,8,9-tetrahydro-[1]benzofuro[3,2-c]pyridine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@H](C)N2CCN(CC2)CC(=O)N3CCC[C@@H](C3)C4=CSN=N4

DOS

IR

Vibrations