Geometry & MOs

Info

ID:	141245
PubChem CID:	52845836
Reduced:	O3N4C26H33 (1)
Stoich.:	A3B4C26D33 (1)
Weight, g/mol:	448.247441
ΔH_f, kcal/mol:	-70.93
Dipole, Da:	15.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.813293
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN([C@@H]1CCC[NH+](C1)CC2=CC=CC=C2)C(=O)CCN3C4=CC=CC=C4C(=O)NC3=O

DOS

IR

Vibrations