Geometry & MOs

Info

ID:	415521
PubChem CID:	135088517
Reduced:	N3O4C18H23 (1)
Stoich.:	A3B4C18D23 (1)
Weight, g/mol:	302.13789
ΔH_f, kcal/mol:	-118.71
Dipole, Da:	5.18
IP(EA), eV:	-8.98(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C(=O)COC3=CC=CC(=C3)OC

DOS

IR

Vibrations