Geometry & MOs

Info

ID:	156846
PubChem CID:	56394707
Reduced:	N3O6C23H29 (1)
Stoich.:	A3B6C23D29 (1)
Weight, g/mol:	413.123169
ΔH_f, kcal/mol:	-189.5
Dipole, Da:	8.91
IP(EA), eV:	-8.7(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-methoxyphenyl)piperidin-4-yl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CCC(CC2)NC(=O)C3=CC(=C(C(=C3)OC)OCC(=O)N)OC

DOS

IR

Vibrations