Geometry & MOs

Info

ID:	256331
PubChem CID:	103138514
Reduced:	OSN4C8H10 (1)
Stoich.:	ABC4D8E10 (1)
Weight, g/mol:	246.100442
ΔH_f, kcal/mol:	46.49
Dipole, Da:	6.7
IP(EA), eV:	-9.53(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1,4-benzodioxin-5-yl-(1-methylpyrazol-3-yl)methanol

Drug info:

PubChemData

Smile

CC1=C(SN=N1)C(C2=NN(C=C2)C)O

DOS

IR

Vibrations