Geometry & MOs

Info

ID:	353607
PubChem CID:	127285184
Reduced:	SN3O4C18H25 (1)
Stoich.:	AB3C4D18E25 (1)
Weight, g/mol:	329.173942
ΔH_f, kcal/mol:	-137.23
Dipole, Da:	4.12
IP(EA), eV:	-9.44(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-acetylpiperidin-4-yl)methyl]-3-(1,3-benzoxazol-2-yl)propanamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3CC3

DOS

IR

Vibrations