Geometry & MOs

Info

ID:	282996
PubChem CID:	103952192
Reduced:	NOC10H19 (1)
Stoich.:	ABC10D19 (1)
Weight, g/mol:	297.041942
ΔH_f, kcal/mol:	-58.16
Dipole, Da:	3.66
IP(EA), eV:	-8.98(1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylsulfonyl-2-nitro-N-(1,2-oxazol-5-ylmethyl)aniline

Drug info:

PubChemData

Smile

CC(CCO)NC1CCCC=C1

DOS

IR

Vibrations