Geometry & MOs

Info

ID:	256924
PubChem CID:	103142457
Reduced:	SN2O3H10C15 (1)
Stoich.:	AB2C3D10E15 (1)
Weight, g/mol:	256.193949
ΔH_f, kcal/mol:	31.01
Dipole, Da:	4.62
IP(EA), eV:	-9.21(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

C1=CC(=CC=C1O)SC2=C3C=NC=CC3=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations