Geometry & MOs

Info

ID:	196965
PubChem CID:	78902345
Reduced:	O2N3C24H27 (1)
Stoich.:	A2B3C24D27 (1)
Weight, g/mol:	357.9953
ΔH_f, kcal/mol:	-14.63
Dipole, Da:	4.5
IP(EA), eV:	-8.31(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-ylmethyl)-6-bromo-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CCCN(CC2)CC(=O)NC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations