Geometry & MOs

Info

ID:	82726
PubChem CID:	49856400
Reduced:	N4O4C17H20 (1)
Stoich.:	A4B4C17D20 (1)
Weight, g/mol:	562.222957
ΔH_f, kcal/mol:	-112.7
Dipole, Da:	1.13
IP(EA), eV:	-9.58(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-imidazol-1-yl-2-phenylquinazoline;hydrate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC=C3C=C(C=CC3=N2)N4C=CN=C4.O.O.O.O

DOS

IR

Vibrations