Geometry & MOs

Info

ID:	247508
PubChem CID:	103071974
Reduced:	N3O4C11H11 (1)
Stoich.:	A3B4C11D11 (1)
Weight, g/mol:	289.106256
ΔH_f, kcal/mol:	-32.07
Dipole, Da:	3.27
IP(EA), eV:	-9.84(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=C(CN)CN1C2=C(C=CC(=C2)[N+](=O)[O-])OC1=O

DOS

IR

Vibrations