Geometry & MOs

Info

ID:	263198
PubChem CID:	103345310
Reduced:	OS3C12H18 (1)
Stoich.:	AB3C12D18 (1)
Weight, g/mol:	271.11769
ΔH_f, kcal/mol:	-46.51
Dipole, Da:	2.71
IP(EA), eV:	-8.67(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5,6-dimethyl-1,4-dithian-2-yl)-(1-ethylimidazol-2-yl)methanamine

Drug info:

PubChemData

Smile

CC1C(SC(CS1)C(C2=C(C=CS2)C)O)C

DOS

IR

Vibrations