Geometry & MOs

Info

ID:	416767
PubChem CID:	135090327
Reduced:	O2N5C14H19 (1)
Stoich.:	A2B5C14D19 (1)
Weight, g/mol:	356.184841
ΔH_f, kcal/mol:	23.49
Dipole, Da:	9.27
IP(EA), eV:	-8.9(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CCCN1C=NN=N1)CC2COC3=CC=CC=C3O2

DOS

IR

Vibrations