Geometry & MOs

Info

ID:	305538
PubChem CID:	124958886
Reduced:	ClFN2O3C27H34 (1)
Stoich.:	ABC2D3E27F34 (1)
Weight, g/mol:	317.148789
ΔH_f, kcal/mol:	-166.52
Dipole, Da:	4.21
IP(EA), eV:	-8.78(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]-N-methyl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)CN2CCC[C@@](C2)(CC(=O)N3CCOCC3)COC4=CC(=C(C=C4)Cl)C

DOS

IR

Vibrations