Geometry & MOs

Info

ID:	417151
PubChem CID:	135091460
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	317.185175
ΔH_f, kcal/mol:	-101.1
Dipole, Da:	4.41
IP(EA), eV:	-8.47(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C(=O)[C@@H]3C[C@H](CN3)O)C4=C1C5=CC=CC=C5N4

DOS

IR

Vibrations