Geometry & MOs

Info

ID:	210173
PubChem CID:	80769200
Reduced:	SN4C10H18 (1)
Stoich.:	AB4C10D18 (1)
Weight, g/mol:	322.024898
ΔH_f, kcal/mol:	8.44
Dipole, Da:	3.88
IP(EA), eV:	-8.47(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(3,4-dichlorophenyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CC(C)(C)NC1=NC(=NC(=C1)NC)SC

DOS

IR

Vibrations