Geometry & MOs

Info

ID:	47694
PubChem CID:	10534805
Reduced:	O2C3H6 (2)
Stoich.:	A2B3C6 (2)
Weight, g/mol:	148.063663
ΔH_f, kcal/mol:	-197.06
Dipole, Da:	1.86
IP(EA), eV:	-10.32(1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2H-indazol-4-one

Drug info:

PubChemData

Smile

C1[C@H]([C@H]([C@@H]([C@@H]1O)O)O)CO

DOS

IR

Vibrations