Geometry & MOs

Info

ID:	198422
PubChem CID:	79100005
Reduced:	ON2C12H20 (1)
Stoich.:	AB2C12D20 (1)
Weight, g/mol:	244.088164
ΔH_f, kcal/mol:	-36.2
Dipole, Da:	4.24
IP(EA), eV:	-8.23(1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,5-dimethylpyrrol-1-yl)amino]-1,1-dioxothiolan-3-ol

Drug info:

PubChemData

Smile

CC1=CC=C(N1NC2CCCCC2O)C

DOS

IR

Vibrations