Geometry & MOs

Info

ID:	422577
PubChem CID:	135118067
Reduced:	ON4C16H24 (1)
Stoich.:	AB4C16D24 (1)
Weight, g/mol:	360.179755
ΔH_f, kcal/mol:	-8.33
Dipole, Da:	4.9
IP(EA), eV:	-8.94(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCN1C2CN(C2)C3=NC=C(C(=N3)C)C(=O)C

DOS

IR

Vibrations