Geometry & MOs

Info

ID:	205334
PubChem CID:	80088324
Reduced:	OSC10H20 (1)
Stoich.:	ABC10D20 (1)
Weight, g/mol:	182.141913
ΔH_f, kcal/mol:	-88.09
Dipole, Da:	3.61
IP(EA), eV:	-8.45(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-1-(1-methylpyrazol-3-yl)butan-1-ol

Drug info:

PubChemData

Smile

CCC(CC)C1(CC(SC1)C)O

DOS

IR

Vibrations