Geometry & MOs

Info

ID:	38808
PubChem CID:	8137958
Reduced:	NO2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	420.179755
ΔH_f, kcal/mol:	-131.76
Dipole, Da:	6.55
IP(EA), eV:	-8.15(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2-benzoxazol-3-yl)-N-[5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]acetamide

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C(=CC=C2)OCC(=O)NC3=CC=C(C=C3)N4CCCC4=O)C

DOS

IR

Vibrations