Geometry & MOs

Info

ID:	417111
PubChem CID:	135091391
Reduced:	NO5C14H19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	343.16444
ΔH_f, kcal/mol:	-199.22
Dipole, Da:	3.73
IP(EA), eV:	-8.65(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-2,6-dimethyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CN2CC[C@@H]([C@@H](C2)O)C(=O)O)O

DOS

IR

Vibrations