Geometry & MOs

Info

ID:	54398
PubChem CID:	17137287
Reduced:	OS2N4C21H24 (1)
Stoich.:	AB2C4D21E24 (1)
Weight, g/mol:	369.230394
ΔH_f, kcal/mol:	36.82
Dipole, Da:	4.36
IP(EA), eV:	-8.85(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-heptoxyphenyl)-4-propoxybenzamide

Drug info:

PubChemData

Smile

CCCSC1=CC=CC=C1NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CC

DOS

IR

Vibrations