Geometry & MOs

Info

ID:	197206
PubChem CID:	78938236
Reduced:	FON2C14H23 (1)
Stoich.:	ABC2D14E23 (1)
Weight, g/mol:	314.09938
ΔH_f, kcal/mol:	-85.56
Dipole, Da:	5.4
IP(EA), eV:	-8.95(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[3-bromo-4-[2-(diethylamino)ethoxy]phenyl]ethanamine

Drug info:

PubChemData

Smile

CCN(CC)CCOC1=C(C(=CC=C1)F)[C@H](C)N

DOS

IR

Vibrations