Geometry & MOs

Info

ID:	402061
PubChem CID:	135054115
Reduced:	NO2C19H27 (1)
Stoich.:	AB2C19D27 (1)
Weight, g/mol:	235.157229
ΔH_f, kcal/mol:	-101.05
Dipole, Da:	2.12
IP(EA), eV:	-8.44(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-3-hydroxy-4-methyl-N-phenylheptanamide

Drug info:

PubChemData

Smile

CCCC1=C(C[C@H](N1C(=O)OC(C)(C)C)C2=CC=CC=C2)C

DOS

IR

Vibrations