Geometry & MOs

Info

ID:	415262
PubChem CID:	135088254
Reduced:	FO3N4C18H23 (1)
Stoich.:	AB3C4D18E23 (1)
Weight, g/mol:	318.180424
ΔH_f, kcal/mol:	-80.99
Dipole, Da:	5.87
IP(EA), eV:	-8.78(-1.0)
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]-N-(1-methylpyrazol-3-yl)acetamide

Drug info:

PubChemData

Smile

CN(C)C1=NOC(=C1C(=O)N2CCC(C2)CN)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations