Geometry & MOs

Info

ID:	414906
PubChem CID:	135087878
Reduced:	SN6C13H14 (1)
Stoich.:	AB6C13D14 (1)
Weight, g/mol:	283.14331
ΔH_f, kcal/mol:	101.92
Dipole, Da:	6.39
IP(EA), eV:	-8.83(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=NC(=C2C=CSC2=N1)NCC3=NN=C4N3CCC4

DOS

IR

Vibrations