Geometry & MOs

Info

ID:	422333
PubChem CID:	135117654
Reduced:	N2O2C21H32 (1)
Stoich.:	A2B2C21D32 (1)
Weight, g/mol:	304.153541
ΔH_f, kcal/mol:	-106.78
Dipole, Da:	4.31
IP(EA), eV:	-9.04(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)CCC(=O)N2CC[C@]3(CCCN([C@@H]3C2)C)CO)C

DOS

IR

Vibrations