Geometry & MOs

Info

ID:	379867
PubChem CID:	134958994
Reduced:	NO2H15C21 (1)
Stoich.:	AB2C15D21 (1)
Weight, g/mol:	380.89889
ΔH_f, kcal/mol:	2.65
Dipole, Da:	3.07
IP(EA), eV:	-8.65(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(2S)-2-chloro-1,1,2-trifluoro-2-iodoethyl]triazol-4-yl] prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C2C3=C4C(=CC=C3)OC5=CC=CC=C5CN4C(=O)C2=CC=C1

DOS

IR

Vibrations