Geometry & MOs

Info

ID:	184503
PubChem CID:	77170481
Reduced:	OF3N6C25H31 (1)
Stoich.:	AB3C6D25E31 (1)
Weight, g/mol:	371.232125
ΔH_f, kcal/mol:	-128.86
Dipole, Da:	4.88
IP(EA), eV:	-9.06(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-methylpyrrolidin-3-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)CC2=CC=CC=C2C(F)(F)F)NC(=O)N3CCC4C(C3)C(NN4)C5=CC=NC=C5

DOS

IR

Vibrations