Geometry & MOs

Info

ID:	173525
PubChem CID:	75649084
Reduced:	BrON3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	358.95868
ΔH_f, kcal/mol:	30.66
Dipole, Da:	17.14
IP(EA), eV:	-6.42(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[2-(3-bromophenyl)-1-chloroethenyl]quinazolin-4-olate

Drug info:

PubChemData

Smile

CC1CC[NH+](CC1)CC2=CC(=O)[NH+]3C=C(C=CC3=N2)Br

DOS

IR

Vibrations