Geometry & MOs

Info

ID:	407415
PubChem CID:	135080042
Reduced:	BrN3H6C8 (1)
Stoich.:	AB3C6D8 (1)
Weight, g/mol:	193.073893
ΔH_f, kcal/mol:	96.92
Dipole, Da:	4.37
IP(EA), eV:	-9.28(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-2-[(E)-1-nitroprop-1-enyl]benzene

Drug info:

PubChemData

Smile

C=C(C1=CC=CC=C1Br)N=[N+]=[N-]

DOS

IR

Vibrations