Geometry & MOs

Info

ID:	73811
PubChem CID:	48420504
Reduced:	ClO2N4H21C22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	360.147393
ΔH_f, kcal/mol:	18.16
Dipole, Da:	4.02
IP(EA), eV:	-8.86(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NN=C(C=C2)Cl)C(=O)OC(C3=CC=CC=C3)C4=CC=NC=C4

DOS

IR

Vibrations