Geometry & MOs

Info

ID:	374721
PubChem CID:	131342549
Reduced:	OSN3C10H11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	221.062283
ΔH_f, kcal/mol:	25.9
Dipole, Da:	3.9
IP(EA), eV:	-8.66(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-aminothiophen-2-yl)-(1,5-dimethylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)C(=O)C2=CSC(=C2)N

DOS

IR

Vibrations