Geometry & MOs

Info

ID:	439190
PubChem CID:	135228955
Reduced:	NC30H37 (1)
Stoich.:	AB30C37 (1)
Weight, g/mol:	322.00007
ΔH_f, kcal/mol:	7.77
Dipole, Da:	1.08
IP(EA), eV:	-7.5(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1-methyl-4,5-dihydroimidazol-2-yl)hex-1-ynyl thiohypoiodite

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C3=C(C=C(C=C3)C(C)(C)C)C(C4=C2C=CC(=C4)C(C)(C)C)(C)C

DOS

IR

Vibrations