Geometry & MOs

Info

ID:	73803
PubChem CID:	48420487
Reduced:	NO3H15C19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	360.111007
ΔH_f, kcal/mol:	-16.27
Dipole, Da:	3.77
IP(EA), eV:	-9.54(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=NC=C2)OC(=O)/C=C/C3=CC=CO3

DOS

IR

Vibrations