Geometry & MOs

Info

ID:	73842
PubChem CID:	48420668
Reduced:	NOH7C8 (3)
Stoich.:	ABC7D8 (3)
Weight, g/mol:	328.121178
ΔH_f, kcal/mol:	-2.0
Dipole, Da:	5.28
IP(EA), eV:	-9.57(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[phenyl(pyridin-4-yl)methyl] 3-(cyanomethyl)benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN=C(O2)CCCC(=O)OC(C3=CC=CC=C3)C4=CC=NC=C4

DOS

IR

Vibrations