Geometry & MOs

Info

ID:	418923
PubChem CID:	135107138
Reduced:	NF3O3C21H22 (1)
Stoich.:	AB3C3D21E22 (1)
Weight, g/mol:	312.158626
ΔH_f, kcal/mol:	-256.13
Dipole, Da:	1.88
IP(EA), eV:	-9.56(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,6-dimethylpyrimidin-5-yl)-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(C[C@]([C@H]1O)(CC2=CC=CC=C2)C(=O)O)CC3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations