Geometry & MOs

Info

ID:	193276
PubChem CID:	78369006
Reduced:	ClN2O3C11H11 (1)
Stoich.:	AB2C3D11E11 (1)
Weight, g/mol:	357.04767
ΔH_f, kcal/mol:	-114.0
Dipole, Da:	3.71
IP(EA), eV:	-9.34(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2-bromophenyl)methyl-methylamino]methyl]-4aH-quinazolin-4-one

Drug info:

PubChemData

Smile

C1C(NC(=O)NC1=O)COC2=CC=C(C=C2)Cl

DOS

IR

Vibrations