Geometry & MOs

Info

ID:	141244
PubChem CID:	52845835
Reduced:	O2N4C25H32 (1)
Stoich.:	A2B4C25D32 (1)
Weight, g/mol:	449.255266
ΔH_f, kcal/mol:	-43.17
Dipole, Da:	2.98
IP(EA), eV:	-8.44(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(3R)-1-benzylpiperidin-1-ium-3-yl]-3-(2,4-dioxoquinazolin-1-yl)-N-propylpropanamide

Drug info:

PubChemData

Smile

CCCN([C@H]1CCCN(C1)CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)N(CC(=O)N4)C

DOS

IR

Vibrations