Geometry & MOs

Info

ID:	16836
PubChem CID:	477231
Reduced:	Cl4N7C18H21 (1)
Stoich.:	A4B7C18D21 (1)
Weight, g/mol:	477.058304
ΔH_f, kcal/mol:	45.06
Dipole, Da:	10.08
IP(EA), eV:	-8.84(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[2-(diethylamino)ethyl]-6-methyl-2-N-(4,5,6,7-tetrachloro-1H-benzimidazol-2-yl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCN(CC)CCNC1=NC(=NC(=C1)C)NC2=NC3=C(N2)C(=C(C(=C3Cl)Cl)Cl)Cl

DOS

IR

Vibrations