Geometry & MOs

Info

ID:	82723
PubChem CID:	49856397
Reduced:	ClN4H13C17 (1)
Stoich.:	AB4C13D17 (1)
Weight, g/mol:	390.132805
ΔH_f, kcal/mol:	89.27
Dipole, Da:	4.13
IP(EA), eV:	-9.49(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butanedioic acid;6-imidazol-1-yl-2-phenylquinazoline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations