Geometry & MOs

Info

ID:	136828
PubChem CID:	52108264
Reduced:	N4C15H20 (1)
Stoich.:	A4B15C20 (1)
Weight, g/mol:	281.140236
ΔH_f, kcal/mol:	39.05
Dipole, Da:	2.71
IP(EA), eV:	-8.09(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[[4-(dimethylamino)quinazolin-3-ium-2-yl]amino]phenol

Drug info:

PubChemData

Smile

C[C@@H]1CCCN(C1)C2=NC3=CC=CC=C3C(=N2)NC

DOS

IR

Vibrations