Geometry & MOs

Info

ID:	423863
PubChem CID:	135120527
Reduced:	N2O3C24H26 (1)
Stoich.:	A2B3C24D26 (1)
Weight, g/mol:	316.153541
ΔH_f, kcal/mol:	-75.23
Dipole, Da:	4.4
IP(EA), eV:	-8.48(-0.12)
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]-1-methylpyridin-2-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCC3(CC2)C4=C(CCO3)C5=CC=CC=C5N4)OC

DOS

IR

Vibrations