Geometry & MOs

Info

ID:	255112
PubChem CID:	103130051
Reduced:	ISH4N5C8 (1)
Stoich.:	ABC4D5E8 (1)
Weight, g/mol:	154.110613
ΔH_f, kcal/mol:	155.44
Dipole, Da:	3.15
IP(EA), eV:	-9.47(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CN2C(=C(C=N2)C3=NC(=NS3)I)C=N1

DOS

IR

Vibrations