Geometry & MOs

Info

ID:	144824
PubChem CID:	53419545
Reduced:	ClN2O4C12H15 (1)
Stoich.:	AB2C4D12E15 (1)
Weight, g/mol:	336.110151
ΔH_f, kcal/mol:	-170.8
Dipole, Da:	3.25
IP(EA), eV:	-9.66(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-butyl-6-chloro-2-N-methyl-4-N-(3-nitrophenyl)-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=C(C=CC(=N1)Cl)C(=O)OC

DOS

IR

Vibrations