Geometry & MOs

Info

ID:	291894
PubChem CID:	113635231
Reduced:	N2O2C13H24 (1)
Stoich.:	A2B2C13D24 (1)
Weight, g/mol:	314.11061
ΔH_f, kcal/mol:	-100.87
Dipole, Da:	0.57
IP(EA), eV:	-8.68(1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[(4-bromo-2,5-diethylpyrazol-3-yl)methyl]-3-methylpiperazine

Drug info:

PubChemData

Smile

C[C@H]1CN(CCN1)CC2COC3(O2)CCCC3

DOS

IR

Vibrations