Geometry & MOs

Info

ID:	371061
PubChem CID:	127342255
Reduced:	N3O3C21H31 (1)
Stoich.:	A3B3C21D31 (1)
Weight, g/mol:	370.180504
ΔH_f, kcal/mol:	-131.92
Dipole, Da:	8.24
IP(EA), eV:	-8.77(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1CC(CCC1=O)NC(=O)NCC2(CCCCC2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations