Geometry & MOs

Info

ID:	49964
PubChem CID:	11538399
Reduced:	FOSN4H17C21 (1)
Stoich.:	ABCD4E17F21 (1)
Weight, g/mol:	393.16079
ΔH_f, kcal/mol:	73.3
Dipole, Da:	6.07
IP(EA), eV:	-8.9(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-chloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]phenyl]pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC(=NS2)C3=CC=CC=C3)C(=O)C#CC4=CC=CC=C4F

DOS

IR

Vibrations