Geometry & MOs

Info

ID:	252838
PubChem CID:	103114487
Reduced:	BrN3O3C12H12 (1)
Stoich.:	AB3C3D12E12 (1)
Weight, g/mol:	264.147393
ΔH_f, kcal/mol:	-15.96
Dipole, Da:	4.18
IP(EA), eV:	-9.94(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[(2-methyl-3-nitrophenyl)methyl]oxan-4-amine

Drug info:

PubChemData

Smile

CC1=C(N=NN1CC2=CC=C(O2)Br)C(=O)OCC=C

DOS

IR

Vibrations