Geometry & MOs

Info

ID:	73802
PubChem CID:	48420486
Reduced:	ClN2O4H13C19 (1)
Stoich.:	AB2C4D13E19 (1)
Weight, g/mol:	305.105193
ΔH_f, kcal/mol:	-3.3
Dipole, Da:	3.85
IP(EA), eV:	-9.77(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[phenyl(pyridin-4-yl)methyl] (E)-3-(furan-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations