Geometry & MOs

Info

ID:	165095
PubChem CID:	74499434
Reduced:	N2O3H20C21 (1)
Stoich.:	A2B3C20D21 (1)
Weight, g/mol:	353.192569
ΔH_f, kcal/mol:	-7.56
Dipole, Da:	2.3
IP(EA), eV:	-8.76(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-naphthalen-1-yl-5-(thian-4-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN(C2CC2)C(=O)C=CC3=NC4=CC=CC=C4O3

DOS

IR

Vibrations