Geometry & MOs

Info

ID:	342139
PubChem CID:	127264852
Reduced:	N2O3C16H18 (1)
Stoich.:	A2B3C16D18 (1)
Weight, g/mol:	292.077869
ΔH_f, kcal/mol:	-57.35
Dipole, Da:	2.81
IP(EA), eV:	-9.2(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloropyridin-4-yl)-5-(3-fluorophenyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

COC1=CC=CC(=N1)CCNC(=O)C2=C(OC=C2)C3CC3

DOS

IR

Vibrations