Geometry & MOs

Info

ID:	167330
PubChem CID:	74810073
Reduced:	ClN2O3C24H32 (1)
Stoich.:	AB2C3D24E32 (1)
Weight, g/mol:	379.180839
ΔH_f, kcal/mol:	-95.49
Dipole, Da:	5.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.146939
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-2-indazol-1-ylethanone

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C[NH+]2CCCC(C2)CCC(=O)NC3=C(C=CC(=C3)Cl)OC

DOS

IR

Vibrations