Geometry & MOs

Info

ID:	415256
PubChem CID:	135088248
Reduced:	O2N4C17H28 (1)
Stoich.:	A2B4C17D28 (1)
Weight, g/mol:	317.148789
ΔH_f, kcal/mol:	-71.68
Dipole, Da:	6.29
IP(EA), eV:	-8.84(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one

Drug info:

PubChemData

Smile

CCCC1=CC(=NN1)C(=O)N2CC[C@]3(CCCN([C@@H]3C2)C)CO

DOS

IR

Vibrations