Geometry & MOs

Info

ID:	208021
PubChem CID:	80481784
Reduced:	SCl2N2O2H10C13 (1)
Stoich.:	AB2C2D2E10F13 (1)
Weight, g/mol:	291.1293
ΔH_f, kcal/mol:	-5.83
Dipole, Da:	2.53
IP(EA), eV:	-9.3(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]cycloheptanecarboxamide

Drug info:

PubChemData

Smile

C1=CSC(=C1C#CCO)CNC(=O)C2=CC(=C(N2)Cl)Cl

DOS

IR

Vibrations