Geometry & MOs

Info

ID:	215994
PubChem CID:	85085552
Reduced:	O2N3C10H15 (1)
Stoich.:	A2B3C10D15 (1)
Weight, g/mol:	209.062283
ΔH_f, kcal/mol:	-43.37
Dipole, Da:	2.67
IP(EA), eV:	-8.2(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-isocyanato-1-methyl-2-methylsulfanyl-5-prop-1-enylimidazole

Drug info:

PubChemData

Smile

CCOC=CC1=C(C(=NC(=N1)C)OC)N

DOS

IR

Vibrations