Geometry & MOs

Info

ID:	124492
PubChem CID:	50885201
Reduced:	N3O7H15C22 (1)
Stoich.:	A3B7C15D22 (1)
Weight, g/mol:	343.118399
ΔH_f, kcal/mol:	-83.54
Dipole, Da:	12.93
IP(EA), eV:	-8.62(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethylphenyl)-1-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanimine

Drug info:

PubChemData

Smile

CC\1=NN(C(=O)/C1=C\C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC(=C(C=C4)O)C(=O)O

DOS

IR

Vibrations