Geometry & MOs

Info

ID:	374722
PubChem CID:	131342550
Reduced:	OSN3C10H11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	221.062283
ΔH_f, kcal/mol:	25.75
Dipole, Da:	4.98
IP(EA), eV:	-8.49(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-aminothiophen-3-yl)-(1,3-dimethylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1C)C(=O)C2=CC=C(S2)N

DOS

IR

Vibrations