Geometry & MOs

Info

ID:	419940
PubChem CID:	135109955
Reduced:	FNOC19H26 (1)
Stoich.:	ABCD19E26 (1)
Weight, g/mol:	367.161995
ΔH_f, kcal/mol:	-70.85
Dipole, Da:	4.17
IP(EA), eV:	-8.67(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@@]12CCCN(C2)C/C=C/C3=CC=C(C=C3)F

DOS

IR

Vibrations