Geometry & MOs

Info

ID:	160892
PubChem CID:	57390151
Reduced:	NSO3H9C13 (1)
Stoich.:	ABC3D9E13 (1)
Weight, g/mol:	389.209472
ΔH_f, kcal/mol:	-34.19
Dipole, Da:	5.31
IP(EA), eV:	-9.41(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(5-chloro-2-methylphenyl)-4-N-pentyl-6-piperazin-1-yl-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

C1C2=C(C=C(C=C2)C3=CC=CS3)C(=O)N(C1=O)O

DOS

IR

Vibrations