Geometry & MOs

Info

ID:	201919
PubChem CID:	79604608
Reduced:	ON2C16H30 (1)
Stoich.:	AB2C16D30 (1)
Weight, g/mol:	226.168128
ΔH_f, kcal/mol:	-81.98
Dipole, Da:	6.14
IP(EA), eV:	-8.23(1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]propane-1,2-diol

Drug info:

PubChemData

Smile

CCN1C(=CC(=C1C)CNCC(C)(CC(C)C)O)C

DOS

IR

Vibrations