Geometry & MOs

Info

ID:	246923
PubChem CID:	103065613
Reduced:	OS2N5C13H21 (1)
Stoich.:	AB2C5D13E21 (1)
Weight, g/mol:	211.114319
ΔH_f, kcal/mol:	-22.49
Dipole, Da:	6.66
IP(EA), eV:	-8.4(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[3-(thiolan-3-yl)imidazol-4-yl]propan-1-amine

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC(=C(S2)C(=O)NC3CCSC3)N

DOS

IR

Vibrations