Geometry & MOs

Info

ID:	252849
PubChem CID:	103114577
Reduced:	O2N3C13H15 (1)
Stoich.:	A2B3C13D15 (1)
Weight, g/mol:	274.131742
ΔH_f, kcal/mol:	-15.8
Dipole, Da:	4.94
IP(EA), eV:	-9.5(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-ethylfuran-2-yl)methyl]-1-(2-methyl-3-nitrophenyl)methanamine

Drug info:

PubChemData

Smile

CCN1C(=C(N=N1)C(=O)OCC2=CC=CC=C2)C

DOS

IR

Vibrations