Geometry & MOs

Info

ID:	137512
PubChem CID:	52218658
Reduced:	N2O3C22H26 (1)
Stoich.:	A2B3C22D26 (1)
Weight, g/mol:	338.163043
ΔH_f, kcal/mol:	-94.45
Dipole, Da:	6.19
IP(EA), eV:	-8.62(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN([C@@H](C)C1=CC(=CC=C1)OC)C(=O)C2=CC(=CC=C2)N3CCCC3=O

DOS

IR

Vibrations