Geometry & MOs

Info

ID:	449702
PubChem CID:	135300762
Reduced:	NO2C9H17 (1)
Stoich.:	AB2C9D17 (1)
Weight, g/mol:	212.098334
ΔH_f, kcal/mol:	-108.01
Dipole, Da:	2.04
IP(EA), eV:	-9.53(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxy-3-(isothiocyanatomethyl)-2,2,5,5-tetramethylpyrrole

Drug info:

PubChemData

Smile

C[C@H]1CC1NC(=O)OC(C)(C)C

DOS

IR

Vibrations