Geometry & MOs

Info

ID:	176019
PubChem CID:	75982242
Reduced:	FN2O3C19H20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	326.126657
ΔH_f, kcal/mol:	-94.9
Dipole, Da:	1.96
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.107008
Charge, e:	0

Chem-info

IUPAC name:

3-(furan-2-ylmethylamino)-4-[2-(2-methoxyphenyl)ethylimino]cyclobutane-1,2-dione

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)C2C3(CC[NH2+]2)C4=C(C=CC(=C4)F)NC3=O

DOS

IR

Vibrations