Geometry & MOs

Info

ID:	155000
PubChem CID:	56314563
Reduced:	ClN3O3H20C21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	389.210327
ΔH_f, kcal/mol:	-50.16
Dipole, Da:	3.22
IP(EA), eV:	-9.32(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[ethyl(propyl)amino]-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide

Drug info:

PubChemData

Smile

CC(CC(=O)NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)Cl)OC

DOS

IR

Vibrations