Geometry & MOs

Info

ID:	183180
PubChem CID:	76986527
Reduced:	ON4C16H18 (1)
Stoich.:	AB4C16D18 (1)
Weight, g/mol:	341.00112
ΔH_f, kcal/mol:	54.59
Dipole, Da:	1.45
IP(EA), eV:	-8.86(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2-bromo-3-methoxypropyl)-6-nitro-4aH-quinazolin-4-one

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2CN(C1)C3=C(C=CC=N3)C(=NO)N

DOS

IR

Vibrations