Geometry & MOs

Info

ID:	61149
PubChem CID:	26706128
Reduced:	FO2N4H15C21 (1)
Stoich.:	AB2C4D15E21 (1)
Weight, g/mol:	442.172894
ΔH_f, kcal/mol:	1.49
Dipole, Da:	11.16
IP(EA), eV:	-8.7(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1-benzyltriazol-4-yl)-1-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=NN1C2=CC=CC=C2F)C(=O)NC3=CC=CC4=C3C=CC=N4

DOS

IR

Vibrations