Geometry & MOs

Info

ID:	247666
PubChem CID:	103072615
Reduced:	BrON3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	335.06332
ΔH_f, kcal/mol:	7.06
Dipole, Da:	3.23
IP(EA), eV:	-9.04(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]quinazolin-4-one

Drug info:

PubChemData

Smile

CCCNCC(=C)CN1C=NC2=C(C1=O)C=C(C=C2)Br

DOS

IR

Vibrations