Geometry & MOs

Info

ID:	258599
PubChem CID:	103155545
Reduced:	NO2C5H10 (2)
Stoich.:	AB2C5D10 (2)
Weight, g/mol:	263.126991
ΔH_f, kcal/mol:	-194.77
Dipole, Da:	4.85
IP(EA), eV:	-9.7(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methoxy-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide

Drug info:

PubChemData

Smile

COC(CC(=O)NCCCC(=O)OC)CN

DOS

IR

Vibrations