Geometry & MOs

Info

ID:	380052
PubChem CID:	134964550
Reduced:	OSC17H18 (1)
Stoich.:	ABC17D18 (1)
Weight, g/mol:	169.065827
ΔH_f, kcal/mol:	13.12
Dipole, Da:	2.07
IP(EA), eV:	-8.35(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-phenylprop-2-enyl]azanium;chloride

Drug info:

PubChemData

Smile

CC(C)([C@H]1C2=CC=CC=C2C=C1C3=CSC=C3)OC

DOS

IR

Vibrations