Geometry & MOs

Info

ID:	18813
PubChem CID:	548602
Reduced:	O2N4H6C7 (1)
Stoich.:	A2B4C6D7 (1)
Weight, g/mol:	178.049075
ΔH_f, kcal/mol:	88.55
Dipole, Da:	6.8
IP(EA), eV:	-9.65(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-azido-4-methyl-2-nitrobenzene

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N=[N+]=[N-])[N+](=O)[O-]

DOS

IR

Vibrations