Geometry & MOs

Info

ID:	306005
PubChem CID:	125000075
Reduced:	FO2N5C16H20 (1)
Stoich.:	AB2C5D16E20 (1)
Weight, g/mol:	333.160103
ΔH_f, kcal/mol:	-77.63
Dipole, Da:	2.48
IP(EA), eV:	-8.74(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3R)-1-(5-fluoropyridin-2-yl)-3-hydroxypyrrolidin-3-yl]methyl]-2-(2-methylimidazol-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=NC=CN1CC(=O)NC[C@]2(CCN(C2)C3=NC=C(C=C3)F)O

DOS

IR

Vibrations