Geometry & MOs

Info

ID:	19184
PubChem CID:	556948
Reduced:	ClO2N5H12C14 (1)
Stoich.:	AB2C5D12E14 (1)
Weight, g/mol:	317.067952
ΔH_f, kcal/mol:	23.19
Dipole, Da:	4.27
IP(EA), eV:	-8.72(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-chloro-6-(furan-2-ylmethylamino)-1,3,5-triazin-2-yl]amino]phenol

Drug info:

PubChemData

Smile

C1=COC(=C1)CNC2=NC(=NC(=N2)Cl)NC3=CC=C(C=C3)O

DOS

IR

Vibrations