Geometry & MOs

Info

ID:	228236
PubChem CID:	87563717
Reduced:	ClON3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	337.065176
ΔH_f, kcal/mol:	7.16
Dipole, Da:	4.87
IP(EA), eV:	-9.22(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-aminophenyl)carbamothioyl]-4-methoxybenzamide;hydrochloride

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=NC(=N2)Cl)N3CCOCC3

DOS

IR

Vibrations