Geometry & MOs

Info

ID:	247507
PubChem CID:	103071971
Reduced:	NOC6H10 (2)
Stoich.:	ABC6D10 (2)
Weight, g/mol:	249.074956
ΔH_f, kcal/mol:	-95.51
Dipole, Da:	4.71
IP(EA), eV:	-8.8(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(aminomethyl)prop-2-enyl]-5-nitro-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

CCCNCC(=C)CN1C(=O)CCCC1=O

DOS

IR

Vibrations