Geometry & MOs

Info

ID:	299623
PubChem CID:	117688195
Reduced:	N3O3C13H17 (1)
Stoich.:	A3B3C13D17 (1)
Weight, g/mol:	278.123069
ΔH_f, kcal/mol:	-111.39
Dipole, Da:	4.93
IP(EA), eV:	-8.9(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2R,3R)-3-cyclopropyl-3-hydroxy-2-methylpyrrolidin-1-yl]-2,6-difluorobenzonitrile

Drug info:

PubChemData

Smile

C1CC(NC(C1N2CC3=C(C2=O)C=CC=C3N)O)O

DOS

IR

Vibrations