Geometry & MOs

Info

ID:	340977
PubChem CID:	127263412
Reduced:	NO3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	193.157898
ΔH_f, kcal/mol:	-83.47
Dipole, Da:	3.96
IP(EA), eV:	-10.05(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-3-propan-2-yl-1,4,6,7-tetrahydroindazol-5-amine

Drug info:

PubChemData

Smile

COC(CCC#N)C1=CC(=CC=C1)C(=O)OC

DOS

IR

Vibrations