Geometry & MOs

Info

ID:	135203
PubChem CID:	51834199
Reduced:	O3N5C21H21 (1)
Stoich.:	A3B5C21D21 (1)
Weight, g/mol:	334.225643
ΔH_f, kcal/mol:	-53.97
Dipole, Da:	4.62
IP(EA), eV:	-9.09(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-N-[(1R)-2-(butylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]propanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=NC2=CC=CC=C2N1)NC(=O)[C@H]3CC(=O)N(C3)C4=CC=CC=C4

DOS

IR

Vibrations