Geometry & MOs

Info

ID:	155439
PubChem CID:	56365483
Reduced:	SN3O3C28H33 (1)
Stoich.:	AB3C3D28E33 (1)
Weight, g/mol:	463.247107
ΔH_f, kcal/mol:	-67.85
Dipole, Da:	2.68
IP(EA), eV:	-8.74(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzoylpiperidin-4-yl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-propylpropanamide

Drug info:

PubChemData

Smile

CCCN(C1CCN(CC1)C(=O)C2=CC=CC=C2)C(=O)CC3=CSC(=N3)COC4=CC=C(C=C4)C

DOS

IR

Vibrations