Geometry & MOs

Info

ID:	420324
PubChem CID:	135112488
Reduced:	NOC6H9 (3)
Stoich.:	ABC6D9 (3)
Weight, g/mol:	278.108899
ΔH_f, kcal/mol:	-115.99
Dipole, Da:	1.8
IP(EA), eV:	-8.97(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-2-propylsulfanylacetamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N[C@H]2COC[C@H]2CC3=CC=NC=C3)CCO

DOS

IR

Vibrations