Geometry & MOs

Info

ID:	22534
PubChem CID:	597554
Reduced:	ON6C13H18 (1)
Stoich.:	AB6C13D18 (1)
Weight, g/mol:	274.154209
ΔH_f, kcal/mol:	21.46
Dipole, Da:	3.72
IP(EA), eV:	-8.72(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-amino-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]phenol

Drug info:

PubChemData

Smile

CN(C)C1=NC(=NC(=N1)N)C(CC2=CC=C(C=C2)O)N

DOS

IR

Vibrations