Geometry & MOs

Info

ID:	247665
PubChem CID:	103072612
Reduced:	BrON3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	335.06332
ΔH_f, kcal/mol:	12.55
Dipole, Da:	2.92
IP(EA), eV:	-9.04(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-3-[2-(propylaminomethyl)prop-2-enyl]quinazolin-4-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations