Geometry & MOs

Info

ID:	209584
PubChem CID:	80690847
Reduced:	SN2O5C13H18 (1)
Stoich.:	AB2C5D13E18 (1)
Weight, g/mol:	237.07283
ΔH_f, kcal/mol:	-203.63
Dipole, Da:	5.97
IP(EA), eV:	-9.81(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromo-3-methoxypropyl)-N-methylbutan-2-amine

Drug info:

PubChemData

Smile

CC(CS(=O)(=O)NC(CC(=O)N)C(=O)O)C1=CC=CC=C1

DOS

IR

Vibrations