Geometry & MOs

Info

ID:	249528
PubChem CID:	103090249
Reduced:	SN3C14H27 (1)
Stoich.:	AB3C14D27 (1)
Weight, g/mol:	251.145619
ΔH_f, kcal/mol:	-15.92
Dipole, Da:	4.57
IP(EA), eV:	-7.96(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-methylsulfanylpropyl)-2-propan-2-yl-3-prop-2-ynylimidazol-4-amine

Drug info:

PubChemData

Smile

CC(C)C1=NC(=C(N1C(C)(C)C)N)CCCSC

DOS

IR

Vibrations