Geometry & MOs

Info

ID:	61457
PubChem CID:	26709590
Reduced:	OSN3C25H30 (1)
Stoich.:	ABC3D25E30 (1)
Weight, g/mol:	410.177647
ΔH_f, kcal/mol:	30.09
Dipole, Da:	7.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.007685
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=CS2)CC(=O)NCC3=CC=C(C=C3)C[NH+]4CCCCC4

DOS

IR

Vibrations