Geometry & MOs

Info

ID:	14873
PubChem CID:	423168
Reduced:	ClON6C12H15 (1)
Stoich.:	ABC6D12E15 (1)
Weight, g/mol:	294.099587
ΔH_f, kcal/mol:	24.87
Dipole, Da:	3.85
IP(EA), eV:	-9.04(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzamide

Drug info:

PubChemData

Smile

CC1(N=C(N=C(N1NC(=O)C2=CC(=CC=C2)Cl)N)N)C

DOS

IR

Vibrations