Geometry & MOs

Info

ID:	146686
PubChem CID:	53730770
Reduced:	SN3O3H13C14 (1)
Stoich.:	AB3C3D13E14 (1)
Weight, g/mol:	172.063663
ΔH_f, kcal/mol:	-38.78
Dipole, Da:	5.84
IP(EA), eV:	-9.21(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-propa-1,2-dienyl-1H-indazol-3-one

Drug info:

PubChemData

Smile

C1[C@H]2N(C1=O)C(=C(S2)CN=C(C3=CC=CC=C3)N)C(=O)O

DOS

IR

Vibrations