Geometry & MOs

Info

ID:	139264
PubChem CID:	52500956
Reduced:	N2O4C27H28 (1)
Stoich.:	A2B4C27D28 (1)
Weight, g/mol:	444.204907
ΔH_f, kcal/mol:	-96.69
Dipole, Da:	6.38
IP(EA), eV:	-8.87(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

Drug info:

PubChemData

Smile

C[C@@H](CC1=CC=CC=C1OC)N(CC2=CC=CC=C2)C(=O)CCN3C4=CC=CC=C4OC3=O

DOS

IR

Vibrations