Geometry & MOs

Info

ID:	279366
PubChem CID:	103843439
Reduced:	NO2C13H23 (1)
Stoich.:	AB2C13D23 (1)
Weight, g/mol:	275.163377
ΔH_f, kcal/mol:	-97.31
Dipole, Da:	4.99
IP(EA), eV:	-9.42(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-indazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)(CNC(=O)/C=C/C=CC)CO

DOS

IR

Vibrations