Geometry & MOs

Info

ID:	249527
PubChem CID:	103090243
Reduced:	SN3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	269.192569
ΔH_f, kcal/mol:	47.3
Dipole, Da:	3.4
IP(EA), eV:	-8.36(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-5-(3-methylsulfanylpropyl)-2-propan-2-ylimidazol-4-amine

Drug info:

PubChemData

Smile

CCCC1=NC(=C(N1CC#C)N)CCCSC

DOS

IR

Vibrations