Geometry & MOs

Info

ID:	207717
PubChem CID:	80442266
Reduced:	BrOSN3C12H16 (1)
Stoich.:	ABCD3E12F16 (1)
Weight, g/mol:	284.082874
ΔH_f, kcal/mol:	31.13
Dipole, Da:	3.06
IP(EA), eV:	-9.36(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-1-(3-cyanophenyl)-3-(2-methylpropyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC(C)CC(CC1=NC(=NO1)C2=CC(=CS2)Br)N

DOS

IR

Vibrations