Geometry & MOs

Info

ID:	79798
PubChem CID:	49830486
Reduced:	OSN3H19C21 (1)
Stoich.:	ABC3D19E21 (1)
Weight, g/mol:	360.183778
ΔH_f, kcal/mol:	52.79
Dipole, Da:	4.54
IP(EA), eV:	-8.85(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-propoxyphenyl)ethyl]-4-pyridin-4-ylbenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CCO)NC2=NC3=C(S2)C=C(C=C3)C4=CC=NC=C4

DOS

IR

Vibrations