Geometry & MOs

Info

ID:	279890
PubChem CID:	103845547
Reduced:	ON3C12H23 (1)
Stoich.:	AB3C12D23 (1)
Weight, g/mol:	287.199762
ΔH_f, kcal/mol:	-49.87
Dipole, Da:	4.03
IP(EA), eV:	-8.98(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC)(CNCC1=CN=C(N1)C)CO

DOS

IR

Vibrations