Geometry & MOs

Info

ID:	352528
PubChem CID:	127283616
Reduced:	NOC8H10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	297.147727
ΔH_f, kcal/mol:	-70.77
Dipole, Da:	6.84
IP(EA), eV:	-9.19(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methyl-3-[2-(4-methylidenepiperidin-1-yl)-2-oxoethyl]quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C(=O)CCC2)C(=O)N3CCC(=C)CC3

DOS

IR

Vibrations