Geometry & MOs

Info

ID:	169391
PubChem CID:	75098477
Reduced:	OSN3C12H13 (1)
Stoich.:	ABC3D12E13 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	46.47
Dipole, Da:	6.25
IP(EA), eV:	-8.86(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,3,3a,4,4a,5,6,7,8,8a,8b-dodecahydropyrazolo[4,3-b]indol-3-yl(pyridin-4-yl)methanone

Drug info:

PubChemData

Smile

CC1C(=CC=C2C=CC(=O)C=C2)NC(=S)NN1

DOS

IR

Vibrations