Geometry & MOs

Info

ID:	421732
PubChem CID:	135116512
Reduced:	F2N2O3C15H18 (1)
Stoich.:	A2B2C3D15E18 (1)
Weight, g/mol:	287.17461
ΔH_f, kcal/mol:	-191.17
Dipole, Da:	6.21
IP(EA), eV:	-9.08(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(2,5-dimethylpyrimidin-4-yl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)F)CN2C[C@@H]3COC[C@H](C2)NC3=O)F

DOS

IR

Vibrations