Geometry & MOs

Info

ID:	358774
PubChem CID:	127296640
Reduced:	ON2C14H20 (1)
Stoich.:	AB2C14D20 (1)
Weight, g/mol:	361.04259
ΔH_f, kcal/mol:	-26.91
Dipole, Da:	3.05
IP(EA), eV:	-9.55(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-3-[2-(4-methylidenepiperidin-1-yl)-2-oxoethyl]quinazolin-4-one

Drug info:

PubChemData

Smile

C=C1CCN(CC1)C(=O)C2(CCCCC2)C#N

DOS

IR

Vibrations