Geometry & MOs

Info

ID:	408362
PubChem CID:	135081128
Reduced:	IO2C9H9 (1)
Stoich.:	AB2C9D9 (1)
Weight, g/mol:	211.076392
ΔH_f, kcal/mol:	-47.35
Dipole, Da:	3.07
IP(EA), eV:	-9.54(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-amino-1-(4-chlorophenyl)pentan-1-one

Drug info:

PubChemData

Smile

CC(=O)[C@@H](C1=CC=C(C=C1)I)O

DOS

IR

Vibrations