Geometry & MOs

Info

ID:	419691
PubChem CID:	135108706
Reduced:	NOC10H13 (2)
Stoich.:	ABC10D13 (2)
Weight, g/mol:	356.196074
ΔH_f, kcal/mol:	-69.36
Dipole, Da:	3.57
IP(EA), eV:	-8.77(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[1-ethyl-3-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@]12CCCN(C2)CC3=CC4=CC=CC=C4NC3=O

DOS

IR

Vibrations