Geometry & MOs

Info

ID:	156898
PubChem CID:	56394847
Reduced:	ClOF2N2H17C18 (1)
Stoich.:	ABC2D2E17F18 (1)
Weight, g/mol:	432.200885
ΔH_f, kcal/mol:	-89.65
Dipole, Da:	4.63
IP(EA), eV:	-9.06(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[1-(3-methyl-4-nitrobenzoyl)pyrrolidine-2-carbonyl]amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)C3=C(C(=CC=C3)F)F

DOS

IR

Vibrations