Geometry & MOs

Info

ID:	228044
PubChem CID:	87563276
Reduced:	O2N5C24H25 (1)
Stoich.:	A2B5C24D25 (1)
Weight, g/mol:	259.120843
ΔH_f, kcal/mol:	94.29
Dipole, Da:	6.32
IP(EA), eV:	-8.92(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethoxy-4-[[(1S)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)[N+](=O)[O-])N2CCC(=C/C=C/C3=CC=CC(=C3)CC4=CC=NN4)CC2

DOS

IR

Vibrations