Geometry & MOs

Info

ID:	187019
PubChem CID:	77519125
Reduced:	OCl2N2C14H14 (1)
Stoich.:	AB2C2D14E14 (1)
Weight, g/mol:	466.13386
ΔH_f, kcal/mol:	33.41
Dipole, Da:	4.21
IP(EA), eV:	-9.2(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[4-(3-chlorophenyl)pyrazolidin-3-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CN=CC=C1.CO/N=C/C1=C(C=C(C=C1)Cl)Cl

DOS

IR

Vibrations