Geometry & MOs

Info

ID:	174566
PubChem CID:	75786422
Reduced:	N3O3C18H23 (1)
Stoich.:	A3B3C18D23 (1)
Weight, g/mol:	281.140236
ΔH_f, kcal/mol:	-45.54
Dipole, Da:	2.51
IP(EA), eV:	-8.41(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[3-[(4-aminoquinazolin-3-ium-2-yl)amino]phenyl]ethanol

Drug info:

PubChemData

Smile

COC1C=NC(=CC1=O)CN2CCN(CC2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations