Geometry & MOs

Info

ID:	405774
PubChem CID:	135075433
Reduced:	NO2C11H21 (1)
Stoich.:	AB2C11D21 (1)
Weight, g/mol:	221.141579
ΔH_f, kcal/mol:	-131.27
Dipole, Da:	0.81
IP(EA), eV:	-9.81(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-hydroxy-4-[4-(propan-2-ylamino)phenyl]butan-2-one

Drug info:

PubChemData

Smile

CCC(=O)C[C@@H](CC(C)C)NC(=O)C

DOS

IR

Vibrations