Geometry & MOs

Info

ID:	33478
PubChem CID:	7886670
Reduced:	BrFN2O2H12C16 (1)
Stoich.:	ABC2D2E12F16 (1)
Weight, g/mol:	380.0484
ΔH_f, kcal/mol:	-55.62
Dipole, Da:	3.2
IP(EA), eV:	-9.17(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methylpropylcarbamoyl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CN2C=NC3=C(C2=O)C=C(C=C3)Br)F

DOS

IR

Vibrations