Geometry & MOs

Info

ID:	201524
PubChem CID:	79551031
Reduced:	SN2O4C13H24 (1)
Stoich.:	AB2C4D13E24 (1)
Weight, g/mol:	273.151098
ΔH_f, kcal/mol:	-203.41
Dipole, Da:	3.91
IP(EA), eV:	-9.84(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(2-methyl-2-methylsulfonylpropyl)imidazol-4-yl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

CCC1(C(=O)N(C(C(=O)N1)C)CC(C)(C)S(=O)(=O)C)C

DOS

IR

Vibrations