Geometry & MOs

Info

ID:	125608
PubChem CID:	50929942
Reduced:	ClN2O5H21C22 (1)
Stoich.:	AB2C5D21E22 (1)
Weight, g/mol:	362.087827
ΔH_f, kcal/mol:	-88.73
Dipole, Da:	4.18
IP(EA), eV:	-8.38(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]furan-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1OCC(=O)N/N=C/C2=CC=C(O2)C3=CC(=C(C=C3)OC)Cl

DOS

IR

Vibrations