Geometry & MOs

Info

ID:	137513
PubChem CID:	52218664
Reduced:	N2O3C20H22 (1)
Stoich.:	A2B3C20D22 (1)
Weight, g/mol:	338.163043
ΔH_f, kcal/mol:	-39.37
Dipole, Da:	0.86
IP(EA), eV:	-8.93(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2-benzoxazol-3-yl)-N-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

CCN([C@@H](C)C1=CC(=CC=C1)OC)C(=O)CC2=NOC3=CC=CC=C32

DOS

IR

Vibrations