Geometry & MOs

Info

ID:	256068
PubChem CID:	103136841
Reduced:	N3H15C16 (1)
Stoich.:	A3B15C16 (1)
Weight, g/mol:	322.03169
ΔH_f, kcal/mol:	76.38
Dipole, Da:	2.37
IP(EA), eV:	-7.83(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-3-[(5-methyloxolan-2-yl)methyl]quinazolin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations