Geometry & MOs

Info

ID:	263964
PubChem CID:	103410653
Reduced:	O2C5H10 (2)
Stoich.:	A2B5C10 (2)
Weight, g/mol:	417.98269
ΔH_f, kcal/mol:	-177.06
Dipole, Da:	2.71
IP(EA), eV:	-9.81(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-(2,4-dibromo-5-methoxyphenyl)-5-methyl-2-propan-2-ylpyrazole-3,4-diamine

Drug info:

PubChemData

Smile

COCCOCCCCC(=O)COC

DOS

IR

Vibrations