Geometry & MOs

Info

ID:	194703
PubChem CID:	78578211
Reduced:	N2O2C17H18 (1)
Stoich.:	A2B2C17D18 (1)
Weight, g/mol:	220.121178
ΔH_f, kcal/mol:	-9.72
Dipole, Da:	2.95
IP(EA), eV:	-7.7(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

1,3-diethylquinazoline-1,3-diium-2,4-diol

Drug info:

PubChemData

Smile

CC[N+]1=C(C2=CC=CC=C2[N+](=C1O)CC3=CC=CC=C3)O

DOS

IR

Vibrations