Geometry & MOs

Info

ID:	422982
PubChem CID:	135118723
Reduced:	OSN3C17H23 (1)
Stoich.:	ABC3D17E23 (1)
Weight, g/mol:	301.153875
ΔH_f, kcal/mol:	14.47
Dipole, Da:	4.6
IP(EA), eV:	-8.88(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)CCCN3C=CC=N3)C4=C1SC=C4

DOS

IR

Vibrations