Geometry & MOs

Info

ID:	422622
PubChem CID:	135118155
Reduced:	O2N3C19H27 (1)
Stoich.:	A2B3C19D27 (1)
Weight, g/mol:	343.180839
ΔH_f, kcal/mol:	-67.74
Dipole, Da:	2.28
IP(EA), eV:	-8.26(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)C(=O)CN(C)CC2=C(C3=CC=CC=C3N2)C

DOS

IR

Vibrations