Geometry & MOs

Info

ID:	33474
PubChem CID:	7886649
Reduced:	BrO2N3H14C19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	399.05824
ΔH_f, kcal/mol:	-1.04
Dipole, Da:	7.07
IP(EA), eV:	-9.11(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-3-[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)C(=O)CN3C=NC4=C(C3=O)C=C(C=C4)Br

DOS

IR

Vibrations