Geometry & MOs

Info

ID:	352525
PubChem CID:	127283613
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	297.147727
ΔH_f, kcal/mol:	-96.92
Dipole, Da:	6.57
IP(EA), eV:	-9.34(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-methylidenepiperidin-1-yl)-3-oxopropyl]quinazolin-4-one

Drug info:

PubChemData

Smile

C=C1CCN(CC1)C(=O)C2CC(=O)N(C2)C3CCCC3

DOS

IR

Vibrations