Geometry & MOs

Info

ID:	139279
PubChem CID:	52501997
Reduced:	FN4O5H21C23 (1)
Stoich.:	AB4C5D21E23 (1)
Weight, g/mol:	263.163377
ΔH_f, kcal/mol:	-48.28
Dipole, Da:	5.81
IP(EA), eV:	-9.44(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1,3-diethylguanidine

Drug info:

PubChemData

Smile

COC(=O)/C=C/C1=CC(=C(C=C1)N2CCC[C@H](C2)C3=NC(=NO3)C4=CC=C(C=C4)F)[N+](=O)[O-]

DOS

IR

Vibrations