Geometry & MOs

Info

ID:	197202
PubChem CID:	78936966
Reduced:	NOC8H13 (2)
Stoich.:	ABC8D13 (2)
Weight, g/mol:	356.99313
ΔH_f, kcal/mol:	-100.12
Dipole, Da:	1.23
IP(EA), eV:	-9.21(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[5-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]ethanamine

Drug info:

PubChemData

Smile

CCCC(C)NC(=O)C(C)OC1=CC=CC(=C1)[C@@H](C)N

DOS

IR

Vibrations