Geometry & MOs

Info

ID:	68077
PubChem CID:	46507718
Reduced:	ClO2N4H13C15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	308.127326
ΔH_f, kcal/mol:	-15.97
Dipole, Da:	4.89
IP(EA), eV:	-8.72(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylphenyl)-2-oxo-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-10-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=C2C(=CNN2C1=O)C(=O)NC3=CC=C(C=C3)Cl)C

DOS

IR

Vibrations