Geometry & MOs

Info

ID:	399880
PubChem CID:	135043440
Reduced:	OC9H10 (2)
Stoich.:	AB9C10 (2)
Weight, g/mol:	282.95925
ΔH_f, kcal/mol:	-61.03
Dipole, Da:	2.56
IP(EA), eV:	-8.84(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-bromo-2-(nitromethyl)-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)O)/C(=C\CO)/C2=CC(=CC(=C2)C)C

DOS

IR

Vibrations