Geometry & MOs

Info

ID:	129769
PubChem CID:	51073783
Reduced:	O2N3C15H27 (1)
Stoich.:	A2B3C15D27 (1)
Weight, g/mol:	347.166748
ΔH_f, kcal/mol:	-116.11
Dipole, Da:	2.6
IP(EA), eV:	-8.73(1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-hydroxypiperidin-1-yl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCCCC1)N2CCC(CC2)C(=O)N

DOS

IR

Vibrations