Geometry & MOs

Info

ID:	347655
PubChem CID:	127272521
Reduced:	NSO3C15H19 (1)
Stoich.:	ABC3D15E19 (1)
Weight, g/mol:	381.205242
ΔH_f, kcal/mol:	-116.35
Dipole, Da:	6.27
IP(EA), eV:	-8.63(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-hydroxy-2,2-dimethyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-3H-1-benzofuran-6-carboxamide

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C(=C(C=C2)C(=O)N3CCSCC3)O)C

DOS

IR

Vibrations