Geometry & MOs

Info

ID:	200653
PubChem CID:	79422663
Reduced:	O2C19H28 (1)
Stoich.:	A2B19C28 (1)
Weight, g/mol:	334.10446
ΔH_f, kcal/mol:	-114.31
Dipole, Da:	5.02
IP(EA), eV:	-9.26(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-bromo-2-(3-methylphenyl)propyl]-1-butan-2-ylpyrazole

Drug info:

PubChemData

Smile

CCCCC(CC)(CC1CCCC2=CC=CC=C12)C(=O)O

DOS

IR

Vibrations