Geometry & MOs

Info

ID:	399255
PubChem CID:	135039186
Reduced:	NSO3C12H17 (1)
Stoich.:	ABC3D12E17 (1)
Weight, g/mol:	240.089878
ΔH_f, kcal/mol:	-102.34
Dipole, Da:	5.47
IP(EA), eV:	-9.81(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-1-phenyl-2H-indazol-3-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCC/C=C/CO

DOS

IR

Vibrations