Geometry & MOs

Info

ID:	264985
PubChem CID:	103506002
Reduced:	OSF3N4C12H15 (1)
Stoich.:	ABC3D4E12F15 (1)
Weight, g/mol:	287.120467
ΔH_f, kcal/mol:	-170.62
Dipole, Da:	5.61
IP(EA), eV:	-8.57(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-cyclopropyl-5-[(1,3-dimethylpyrazol-4-yl)methylamino]thiophene-2-carbonitrile

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=C(C(=C(S1)NCCCC(F)(F)F)C#N)N

DOS

IR

Vibrations