Geometry & MOs

Info

ID:	188589
PubChem CID:	77739295
Reduced:	FO5N6C29H37 (1)
Stoich.:	AB5C6D29E37 (1)
Weight, g/mol:	375.194677
ΔH_f, kcal/mol:	-217.24
Dipole, Da:	10.14
IP(EA), eV:	-8.68(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-benzoylpiperidin-1-yl)propyl]-4aH-quinazolin-4-one

Drug info:

PubChemData

Smile

CC(=O)C1CNCCN1C2=NC=C(C=N2)C3=C(C=C(C=C3)N4CC(OC4=O)CCC(=O)N)F.C1CC2CCC1CO2

DOS

IR

Vibrations