Geometry & MOs

Info

ID:	419583
PubChem CID:	135108478
Reduced:	FO3N4C20H27 (1)
Stoich.:	AB3C4D20E27 (1)
Weight, g/mol:	315.169525
ΔH_f, kcal/mol:	-88.56
Dipole, Da:	3.78
IP(EA), eV:	-8.67(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-amino-3-methylpyrazol-1-yl)-1-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCC1CN(CCN1C)C(=O)C2=C(ON=C2N(C)C)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations