Geometry & MOs

Info

ID:	414815
PubChem CID:	135087778
Reduced:	O2N3F6H15C16 (1)
Stoich.:	A2B3C6D15E16 (1)
Weight, g/mol:	313.19026
ΔH_f, kcal/mol:	-367.04
Dipole, Da:	5.07
IP(EA), eV:	-9.49(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(6-methyl-2-propylpyrimidin-4-yl)-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCO)C(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations