Geometry & MOs

Info

ID:	5138
PubChem CID:	12652
Reduced:	ClN5C11H12 (1)
Stoich.:	AB5C11D12 (1)
Weight, g/mol:	249.078123
ΔH_f, kcal/mol:	51.16
Dipole, Da:	2.98
IP(EA), eV:	-8.84(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(4-chlorophenyl)-6-ethyl-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CCC1=NC(=NC(=N1)NC2=CC=C(C=C2)Cl)N

DOS

IR

Vibrations