Geometry & MOs

Info

ID:	342616
PubChem CID:	127265776
Reduced:	N2O3C16H20 (1)
Stoich.:	A2B3C16D20 (1)
Weight, g/mol:	324.119796
ΔH_f, kcal/mol:	-100.4
Dipole, Da:	4.5
IP(EA), eV:	-8.75(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[1H-1,2,4-triazol-5-yl-[3-(trifluoromethyl)phenyl]methyl]but-2-enamide

Drug info:

PubChemData

Smile

CCC1C(=O)N(C(=O)N1)CCC=CC2=CC(=CC=C2)OC

DOS

IR

Vibrations