Geometry & MOs

Info

ID:	308266
PubChem CID:	125325176
Reduced:	ClO2N4H21C22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	294.051968
ΔH_f, kcal/mol:	-1.82
Dipole, Da:	5.81
IP(EA), eV:	-8.51(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(Z)-N-(4-chloroanilino)-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CC(=O)NC1=C2C=CN(C2=CC=C1)CC(=O)NCCC3=C4C=C(C=CC4=NC3)Cl

DOS

IR

Vibrations