Geometry & MOs

Info

ID:	58879
PubChem CID:	24715024
Reduced:	ClO2N3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	301.179027
ΔH_f, kcal/mol:	-74.53
Dipole, Da:	6.11
IP(EA), eV:	-8.89(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-butanoyl-8-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CCC3(CC2)NC4=C(C=C(C=C4)Cl)C(=O)N3

DOS

IR

Vibrations