Geometry & MOs

Info

ID:	249526
PubChem CID:	103090238
Reduced:	SN3C13H25 (1)
Stoich.:	AB3C13D25 (1)
Weight, g/mol:	251.145619
ΔH_f, kcal/mol:	-10.17
Dipole, Da:	4.85
IP(EA), eV:	-8.11(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-methylsulfanylpropyl)-2-propyl-3-prop-2-ynylimidazol-4-amine

Drug info:

PubChemData

Smile

CCCC1=NC(=C(N1CCC)N)CCCSC

DOS

IR

Vibrations