Geometry & MOs

Info

ID:	73805
PubChem CID:	48420490
Reduced:	NO2H15C19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	375.147058
ΔH_f, kcal/mol:	2.96
Dipole, Da:	3.58
IP(EA), eV:	-9.73(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[phenyl(pyridin-4-yl)methyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations