Geometry & MOs

Info

ID:	374720
PubChem CID:	131342544
Reduced:	BrN3C6H6 (1)
Stoich.:	AB3C6D6 (1)
Weight, g/mol:	221.062283
ΔH_f, kcal/mol:	59.44
Dipole, Da:	5.56
IP(EA), eV:	-9.77(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=CN=C1C#N)Br

DOS

IR

Vibrations