Geometry & MOs

Info

ID:	206770
PubChem CID:	80298265
Reduced:	FN3H14C15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	334.9728
ΔH_f, kcal/mol:	22.7
Dipole, Da:	3.7
IP(EA), eV:	-9.03(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-3-[(4-methyl-1,3-thiazol-2-yl)methyl]quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C)NC2=C(C=CC=N2)C#N)F

DOS

IR

Vibrations