Geometry & MOs

Info

ID:	421382
PubChem CID:	135115898
Reduced:	ON5C13H21 (1)
Stoich.:	AB5C13D21 (1)
Weight, g/mol:	302.154289
ΔH_f, kcal/mol:	-22.27
Dipole, Da:	6.57
IP(EA), eV:	-8.58(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CCC1=C(C(=NC(=N1)N)N2CCC(CC2)C(=O)N)C

DOS

IR

Vibrations