Geometry & MOs

Info

ID:	423876
PubChem CID:	135120591
Reduced:	O2N7C16H21 (1)
Stoich.:	A2B7C16D21 (1)
Weight, g/mol:	302.13789
ΔH_f, kcal/mol:	27.85
Dipole, Da:	10.5
IP(EA), eV:	-8.93(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(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)CC3=NC(=O)C4=CNN(C4=N3)C

DOS

IR

Vibrations