Geometry & MOs

Info

ID:	306054
PubChem CID:	125001455
Reduced:	ON3C12H16 (2)
Stoich.:	AB3C12D16 (2)
Weight, g/mol:	340.171082
ΔH_f, kcal/mol:	-19.65
Dipole, Da:	2.99
IP(EA), eV:	-9.1(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-difluoro-N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1CCCC(=O)N(C)C[C@]2(CCCN(C2)C3=C4C=NC=CC4=NC=C3)O)C

DOS

IR

Vibrations