Geometry & MOs

Info

ID:	33473
PubChem CID:	7886646
Reduced:	BrO2N3C16H18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	395.02694
ΔH_f, kcal/mol:	-56.45
Dipole, Da:	2.16
IP(EA), eV:	-9.42(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]quinazolin-4-one

Drug info:

PubChemData

Smile

C[C@@H]1CCCCN1C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Br

DOS

IR

Vibrations