Geometry & MOs

Info

ID:	73831
PubChem CID:	48420640
Reduced:	N3O3H17C22 (1)
Stoich.:	A3B3C17D22 (1)
Weight, g/mol:	372.147393
ΔH_f, kcal/mol:	-10.07
Dipole, Da:	5.4
IP(EA), eV:	-9.4(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=NC=C2)OC(=O)CN3C4=CC=CC=C4N=CC3=O

DOS

IR

Vibrations