Geometry & MOs

Info

ID:	205322
PubChem CID:	80085707
Reduced:	N2O4C13H16 (1)
Stoich.:	A2B4C13D16 (1)
Weight, g/mol:	224.116092
ΔH_f, kcal/mol:	-77.87
Dipole, Da:	5.79
IP(EA), eV:	-8.84(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-(5-methyl-2-nitrophenoxy)propan-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)[N+](=O)[O-])N2CCCC2C(=O)OC

DOS

IR

Vibrations