Geometry & MOs

Info

ID:	73160
PubChem CID:	48417116
Reduced:	ON2C8H9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	286.088832
ΔH_f, kcal/mol:	9.79
Dipole, Da:	3.81
IP(EA), eV:	-9.02(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=CC=C1OCC(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations