Geometry & MOs

Info

ID:	245825
PubChem CID:	103024111
Reduced:	ON3C11H19 (1)
Stoich.:	AB3C11D19 (1)
Weight, g/mol:	288.129634
ΔH_f, kcal/mol:	-24.06
Dipole, Da:	3.31
IP(EA), eV:	-9.3(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methylpyrazol-4-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)propan-1-one

Drug info:

PubChemData

Smile

CCC(CC(=O)CCC1=CN(N=C1)C)N

DOS

IR

Vibrations