Geometry & MOs

Info

ID:	69651
PubChem CID:	47205087
Reduced:	ON3C12H19 (1)
Stoich.:	AB3C12D19 (1)
Weight, g/mol:	275.109233
ΔH_f, kcal/mol:	-33.25
Dipole, Da:	5.41
IP(EA), eV:	-9.72(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-pyrazol-5-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)CCC(=O)NCC2=CC=NN2

DOS

IR

Vibrations