Geometry & MOs

Info

ID:	294351
PubChem CID:	117454057
Reduced:	N2C19H26 (1)
Stoich.:	A2B19C26 (1)
Weight, g/mol:	280.96183
ΔH_f, kcal/mol:	14.06
Dipole, Da:	3.04
IP(EA), eV:	-8.88(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-4-chloro-5-fluorophenyl)-2-(methylamino)ethanol

Drug info:

PubChemData

Smile

CC(C)(C)C1=C2C=CC(=CC2=CN=C1)CC3CCNCC3

DOS

IR

Vibrations