Geometry & MOs

Info

ID:	79881
PubChem CID:	49831021
Reduced:	NSO3H7C9 (1)
Stoich.:	ABC3D7E9 (1)
Weight, g/mol:	175.074562
ΔH_f, kcal/mol:	-89.21
Dipole, Da:	6.02
IP(EA), eV:	-9.08(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-aminoindazol-1-yl)ethanone

Drug info:

PubChemData

Smile

COC(=O)C1=CSC2=C1NC(=O)C=C2

DOS

IR

Vibrations