Geometry & MOs

Info

ID:	408221
PubChem CID:	135080982
Reduced:	O4C7H14 (1)
Stoich.:	A4B7C14 (1)
Weight, g/mol:	205.146664
ΔH_f, kcal/mol:	-193.56
Dipole, Da:	2.27
IP(EA), eV:	-10.09(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-amino-1-(4-methylphenyl)hexan-1-one

Drug info:

PubChemData

Smile

CCC(=O)[C@H]([C@@H](CCO)O)O

DOS

IR

Vibrations