Geometry & MOs

Info

ID:	324352
PubChem CID:	126677490
Reduced:	ON2S2C25H28 (1)
Stoich.:	AB2C2D25E28 (1)
Weight, g/mol:	406.125275
ΔH_f, kcal/mol:	37.86
Dipole, Da:	1.37
IP(EA), eV:	-8.01(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,3-dimethoxy-4-[(E)-2-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]ethenyl]aniline

Drug info:

PubChemData

Smile

CC/C(=C(\C)/SC(=C(C)C)C1=CSC(=N1)NC2=CC=CC=C2OC3=CC=CC=C3)/C

DOS

IR

Vibrations