Geometry & MOs

Info

ID:	247039
PubChem CID:	103066771
Reduced:	N2O4C11H14 (1)
Stoich.:	A2B4C11D14 (1)
Weight, g/mol:	250.131742
ΔH_f, kcal/mol:	-42.95
Dipole, Da:	5.32
IP(EA), eV:	-9.0(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-nitrophenoxy)methyl]-N-propylprop-2-en-1-amine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[N+](=O)[O-])OCC(=C)CN

DOS

IR

Vibrations