Geometry & MOs

Info

ID:	417140
PubChem CID:	135091449
Reduced:	FON2C17H25 (1)
Stoich.:	ABC2D17E25 (1)
Weight, g/mol:	270.148061
ΔH_f, kcal/mol:	-81.14
Dipole, Da:	4.0
IP(EA), eV:	-8.86(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-1-(2-methylpyrimidin-4-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)CC3=CC(=CC=C3)F)CO

DOS

IR

Vibrations