Geometry & MOs

Info

ID:	141360
PubChem CID:	52866783
Reduced:	N3O5C20H23 (1)
Stoich.:	A3B5C20D23 (1)
Weight, g/mol:	323.126991
ΔH_f, kcal/mol:	-164.05
Dipole, Da:	2.71
IP(EA), eV:	-8.94(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-N,6-dimethylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)C2=CC(=C(C=C2)OCC(=O)NC)OC)C(=O)NC

DOS

IR

Vibrations