Geometry & MOs

Info

ID:	324296
PubChem CID:	126677359
Reduced:	FNOC10H12 (1)
Stoich.:	ABCD10E12 (1)
Weight, g/mol:	420.115773
ΔH_f, kcal/mol:	-43.03
Dipole, Da:	1.2
IP(EA), eV:	-8.93(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-imino-3-methoxy-4-[[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]methylamino]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)C(=C)C)NO

DOS

IR

Vibrations