Geometry & MOs

Info

ID:	412890
PubChem CID:	135085826
Reduced:	LiOC9H9 (1)
Stoich.:	ABC9D9 (1)
Weight, g/mol:	177.115364
ΔH_f, kcal/mol:	14.92
Dipole, Da:	6.61
IP(EA), eV:	-7.55(0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(4-methoxyphenyl)but-3-en-2-amine

Drug info:

PubChemData

Smile

[Li+].C[C@H]1[C-](O1)C2=CC=CC=C2

DOS

IR

Vibrations