Geometry & MOs

Info

ID:	134883
PubChem CID:	51774679
Reduced:	NOC12H14 (2)
Stoich.:	ABC12D14 (2)
Weight, g/mol:	368.209993
ΔH_f, kcal/mol:	-4.16
Dipole, Da:	5.36
IP(EA), eV:	-9.34(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-(tert-butylamino)-1-(2,4-dimethylphenyl)-2-oxoethyl]-4-hydroxy-N-methylbenzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@H]([C@H](C)C1=CC=CC=C1)N(C)C(=O)C#CC2=CC=CC=C2

DOS

IR

Vibrations