Geometry & MOs

Info

ID:	73796
PubChem CID:	48420479
Reduced:	NO2H8C10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	412.142307
ΔH_f, kcal/mol:	-10.26
Dipole, Da:	7.55
IP(EA), eV:	-9.96(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[phenyl(pyridin-4-yl)methyl] 3-(furan-2-carbonylamino)-4-methylbenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=NC=C2)OC(=O)CC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations