Geometry & MOs

Info

ID:	196486
PubChem CID:	78836799
Reduced:	O3N7C23H23 (1)
Stoich.:	A3B7C23D23 (1)
Weight, g/mol:	344.155849
ΔH_f, kcal/mol:	53.51
Dipole, Da:	6.67
IP(EA), eV:	-9.05(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-benzylpiperidin-1-yl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)/C(=C/C3=CC(=CC=C3)OC)/N4C(=NN=N4)C

DOS

IR

Vibrations