Geometry & MOs

Info

ID:	82724
PubChem CID:	49856398
Reduced:	N4O4H18C21 (1)
Stoich.:	A4B4C18D21 (1)
Weight, g/mol:	290.116761
ΔH_f, kcal/mol:	-64.98
Dipole, Da:	6.49
IP(EA), eV:	-9.48(-1.81)
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.C(CC(=O)O)C(=O)O

DOS

IR

Vibrations