Geometry & MOs

Info

ID:	269821
PubChem CID:	103619230
Reduced:	SN2O2C12H20 (1)
Stoich.:	AB2C2D12E20 (1)
Weight, g/mol:	391.99219
ΔH_f, kcal/mol:	-72.26
Dipole, Da:	2.9
IP(EA), eV:	-8.65(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dibromo-4-[[(1-ethylpyrrolidin-3-yl)methylamino]methyl]phenol

Drug info:

PubChemData

Smile

CC(C)(CNCC1=CC=C(O1)CSC)C(=O)N

DOS

IR

Vibrations