Geometry & MOs

Info

ID:	273945
PubChem CID:	103806004
Reduced:	BrOSN2C11H15 (1)
Stoich.:	ABCD2E11F15 (1)
Weight, g/mol:	222.148061
ΔH_f, kcal/mol:	-11.22
Dipole, Da:	3.27
IP(EA), eV:	-9.22(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,3-dimethylpyrazol-4-yl)-(2-methylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CCN(C(C1)CN)C(=O)C2=CSC(=C2)Br

DOS

IR

Vibrations