Geometry & MOs

Info

ID:	437069
PubChem CID:	135214446
Reduced:	N2O4H18C19 (1)
Stoich.:	A2B4C18D19 (1)
Weight, g/mol:	220.078268
ΔH_f, kcal/mol:	-49.38
Dipole, Da:	3.6
IP(EA), eV:	-9.43(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

imidazol-1-yl-(4-propan-2-ylimidazol-1-yl)methanethione

Drug info:

PubChemData

Smile

C[C@@]12CC=CC(=O)C1=C(C3=C([C@@H]2N)ON=C3OCC4=CC=CC=C4)O

DOS

IR

Vibrations