Geometry & MOs

Info

ID:	150515
PubChem CID:	53790208
Reduced:	FO4C27H27 (1)
Stoich.:	AB4C27D27 (1)
Weight, g/mol:	257.064785
ΔH_f, kcal/mol:	-160.61
Dipole, Da:	7.16
IP(EA), eV:	-8.54(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dinitrocyclohexa-2,4-dien-1-yl) (2S)-2-aminopropanoate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1OCCC=CC2=CC=CC=C2CCC(=O)O)O)C3=CC=C(C=C3)F

DOS

IR

Vibrations