Geometry & MOs

Info

ID:	419036
PubChem CID:	135107372
Reduced:	N2O2C21H28 (1)
Stoich.:	A2B2C21D28 (1)
Weight, g/mol:	303.133139
ΔH_f, kcal/mol:	-75.42
Dipole, Da:	3.81
IP(EA), eV:	-9.24(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(C)(C)C(=O)N[C@H]1COC[C@H]1CC2=CC=NC3=CC=CC=C23

DOS

IR

Vibrations