Geometry & MOs

Info

ID:	80681
PubChem CID:	49835867
Reduced:	NSO3H19C20 (1)
Stoich.:	ABC3D19E20 (1)
Weight, g/mol:	280.121178
ΔH_f, kcal/mol:	-79.03
Dipole, Da:	4.95
IP(EA), eV:	-9.06(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(5-methyl-3-phenylindazol-1-yl)acetate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)C)SC3=CC=C(C=C3)C

DOS

IR

Vibrations