Geometry & MOs

Info

ID:	448575
PubChem CID:	135292004
Reduced:	ClO2F3N3H13C14 (1)
Stoich.:	AB2C3D3E13F14 (1)
Weight, g/mol:	225.147727
ΔH_f, kcal/mol:	-196.62
Dipole, Da:	3.8
IP(EA), eV:	-8.77(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-1-amino-4,4-dimethyl-3-oxopent-1-enyl]azetidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CN([C@@H]1C(=O)NC(=O)/C=C(/C(F)(F)F)\N)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations