Geometry & MOs

Info

ID:	207768
PubChem CID:	80446366
Reduced:	NO2C15H33 (1)
Stoich.:	AB2C15D33 (1)
Weight, g/mol:	229.157898
ΔH_f, kcal/mol:	-134.17
Dipole, Da:	1.69
IP(EA), eV:	-8.72(1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-(4-phenylpyrazol-1-yl)butan-2-amine

Drug info:

PubChemData

Smile

CCCCOCCOCC(C(C)CC)NCCC

DOS

IR

Vibrations