Geometry & MOs

Info

ID:	166332
PubChem CID:	74671351
Reduced:	FO2N4H19C23 (1)
Stoich.:	AB2C4D19E23 (1)
Weight, g/mol:	404.154108
ΔH_f, kcal/mol:	30.57
Dipole, Da:	0.39
IP(EA), eV:	-8.89(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[1-(3-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1-(3-fluorophenyl)ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=NN(C=C2C=C(C#N)C(=O)NC3CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations