Geometry & MOs

Info

ID:	205499
PubChem CID:	80113287
Reduced:	ClSN2C12H21 (1)
Stoich.:	ABC2D12E21 (1)
Weight, g/mol:	261.195346
ΔH_f, kcal/mol:	-0.99
Dipole, Da:	3.29
IP(EA), eV:	-8.94(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]-4-methylpentan-1-amine

Drug info:

PubChemData

Smile

CC(C)CC(CN)CNCC1=CC=C(S1)Cl

DOS

IR

Vibrations