Geometry & MOs

Info

ID:	404190
PubChem CID:	135065375
Reduced:	NO2C23H23 (1)
Stoich.:	AB2C23D23 (1)
Weight, g/mol:	269.141579
ΔH_f, kcal/mol:	-30.97
Dipole, Da:	3.08
IP(EA), eV:	-9.15(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2S)-1-hydroxy-1-(4-methylphenyl)propan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@H]([C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)O

DOS

IR

Vibrations