Geometry & MOs

Info

ID:	419232
PubChem CID:	135107807
Reduced:	ON2C10H11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	272.127326
ΔH_f, kcal/mol:	-1.52
Dipole, Da:	3.86
IP(EA), eV:	-9.37(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

CCN1C=NN=C1C(C)NC(=O)C2=CC=CC=C2OCC3=CC=CC=C3

DOS

IR

Vibrations