Geometry & MOs

Info

ID:	356906
PubChem CID:	127292514
Reduced:	O3N4C21H26 (1)
Stoich.:	A3B4C21D26 (1)
Weight, g/mol:	399.161663
ΔH_f, kcal/mol:	-71.23
Dipole, Da:	2.53
IP(EA), eV:	-8.63(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=C(C=C2)OC)C(C)NC(=O)N3CCCCC3C4=NC=CN4

DOS

IR

Vibrations