Geometry & MOs

Info

ID:	83737
PubChem CID:	49860793
Reduced:	ClN4C18H23 (1)
Stoich.:	AB4C18D23 (1)
Weight, g/mol:	405.05672
ΔH_f, kcal/mol:	43.96
Dipole, Da:	4.12
IP(EA), eV:	-9.11(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-bromophenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride

Drug info:

PubChemData

Smile

C1CN(CCN1C[C@H]2C[C@@H]2C3=CC=CC=C3)C4=NC=CC=N4.Cl

DOS

IR

Vibrations