Geometry & MOs

Info

ID:	448540
PubChem CID:	135291728
Reduced:	FON3C15H28 (1)
Stoich.:	ABC3D15E28 (1)
Weight, g/mol:	176.131349
ΔH_f, kcal/mol:	-86.46
Dipole, Da:	4.83
IP(EA), eV:	-8.43(2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-6-propan-2-yl-2,3-dihydroindazole

Drug info:

PubChemData

Smile

CC(C)C1CC(C(NC1)N2CCN(CC2)C3COC3)F

DOS

IR

Vibrations