Geometry & MOs

Info

ID:	346468
PubChem CID:	127270972
Reduced:	SN3O3C20H25 (1)
Stoich.:	AB3C3D20E25 (1)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	-67.78
Dipole, Da:	4.94
IP(EA), eV:	-8.45(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclohexylamino)-2-oxoethyl]-5-methyl-1H-indazole-7-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1CCCC(C1)CNC(=O)C2=CSC(=N2)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations