Geometry & MOs

Info

ID:	387031
PubChem CID:	134983743
Reduced:	BrN2O3C10H17 (1)
Stoich.:	AB2C3D10E17 (1)
Weight, g/mol:	256.044384
ΔH_f, kcal/mol:	-79.94
Dipole, Da:	5.86
IP(EA), eV:	-10.22(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-(3-methyl-2,6-dinitrophenyl)nitramide

Drug info:

PubChemData

Smile

CC1(C2CCC(O1)(C(C2Br)N[N+](=O)[O-])C)C

DOS

IR

Vibrations