Geometry & MOs

Info

ID:	197176
PubChem CID:	78932832
Reduced:	ON2C12H16 (1)
Stoich.:	AB2C12D16 (1)
Weight, g/mol:	225.092042
ΔH_f, kcal/mol:	-3.64
Dipole, Da:	5.31
IP(EA), eV:	-8.92(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[5-chloro-2-(2-methylprop-2-enoxy)phenyl]ethanamine

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)OCCCC#N)N

DOS

IR

Vibrations