Geometry & MOs

Info

ID:	415767
PubChem CID:	135088767
Reduced:	N2O6C15H16 (1)
Stoich.:	A2B6C15D16 (1)
Weight, g/mol:	283.14331
ΔH_f, kcal/mol:	-226.02
Dipole, Da:	9.28
IP(EA), eV:	-9.78(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1)C(=O)N2C[C@]3(C[C@]3(C2)C(=O)O)C(=O)O)C

DOS

IR

Vibrations