Geometry & MOs

Info

ID:	279901
PubChem CID:	103845589
Reduced:	ON3C13H25 (1)
Stoich.:	AB3C13D25 (1)
Weight, g/mol:	239.199762
ΔH_f, kcal/mol:	-47.16
Dipole, Da:	1.55
IP(EA), eV:	-9.03(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-[[(1-ethylpyrazol-4-yl)methylamino]methyl]butan-1-ol

Drug info:

PubChemData

Smile

CCC(CC)(CNCC1=NC=CN1CC)CO

DOS

IR

Vibrations