Geometry & MOs

Info

ID:	249529
PubChem CID:	103090251
Reduced:	SN3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	239.145619
ΔH_f, kcal/mol:	47.18
Dipole, Da:	2.69
IP(EA), eV:	-8.55(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-3-ethyl-5-(3-methylsulfanylpropyl)imidazol-4-amine

Drug info:

PubChemData

Smile

CC(C)C1=NC(=C(N1CC#C)N)CCCSC

DOS

IR

Vibrations