Geometry & MOs

Info

ID:	139535
PubChem CID:	52551398
Reduced:	ON4C19H22 (1)
Stoich.:	AB4C19D22 (1)
Weight, g/mol:	391.189592
ΔH_f, kcal/mol:	18.1
Dipole, Da:	7.42
IP(EA), eV:	-8.56(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(1R)-1-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-methylamino]ethyl]phenyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N([C@@H]3[C@H]2CN(CC3)C)C(=O)NC4=CN=CC=C4

DOS

IR

Vibrations