Geometry & MOs

Info

ID:	288442
PubChem CID:	104316677
Reduced:	N2O4C13H20 (1)
Stoich.:	A2B4C13D20 (1)
Weight, g/mol:	280.142307
ΔH_f, kcal/mol:	-91.76
Dipole, Da:	7.51
IP(EA), eV:	-9.03(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(cyclopropylamino)methyl]-4-nitrophenoxy]butan-2-ol

Drug info:

PubChemData

Smile

CCNCC1=C(C=CC(=C1)[N+](=O)[O-])OCCC(C)O

DOS

IR

Vibrations