Geometry & MOs

Info

ID:	352021
PubChem CID:	127282939
Reduced:	OSN5C13H21 (1)
Stoich.:	ABC5D13E21 (1)
Weight, g/mol:	386.220557
ΔH_f, kcal/mol:	-20.68
Dipole, Da:	4.28
IP(EA), eV:	-8.94(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1CN(CCS1)C(=O)NCC2=NN=C3N2CCCC3

DOS

IR

Vibrations