Geometry & MOs

Info

ID:	124389
PubChem CID:	50881118
Reduced:	ClO2N3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	345.124405
ΔH_f, kcal/mol:	-46.53
Dipole, Da:	3.01
IP(EA), eV:	-8.12(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-2-chloro-5-morpholin-4-ylphenyl)-3-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=C(C=C(C(=C2)N3CCOCC3)N)Cl

DOS

IR

Vibrations