Geometry & MOs

Info

ID:	159284
PubChem CID:	57269434
Reduced:	SN4O6H16C21 (1)
Stoich.:	AB4C6D16E21 (1)
Weight, g/mol:	402.108627
ΔH_f, kcal/mol:	-2.94
Dipole, Da:	6.99
IP(EA), eV:	-9.5(-2.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N',N'-bis(4-chloro-6-methoxy-1,3,5-triazin-2-yl)hexane-1,6-diamine

Drug info:

PubChemData

Smile

CCN1C(=O)C(=C2C3=C(C4=C2C=C(C=C4)[N+](=O)[O-])C(=CC=C3)[N+](=O)[O-])C(=S)N(C1=O)CC

DOS

IR

Vibrations