Geometry & MOs

Info

ID:	373883
PubChem CID:	131320993
Reduced:	ClNOSH6C10 (1)
Stoich.:	ABCDE6F10 (1)
Weight, g/mol:	210.97451
ΔH_f, kcal/mol:	21.77
Dipole, Da:	4.66
IP(EA), eV:	-9.12(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-cyclopropylpyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)Cl)SC(=C2)C(C#N)O

DOS

IR

Vibrations