Geometry & MOs

Info

ID:	220855
PubChem CID:	85240190
Reduced:	ON3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	279.104148
ΔH_f, kcal/mol:	71.62
Dipole, Da:	3.66
IP(EA), eV:	-8.82(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[N-(1-aminoethylidene)-N'-phenylcarbamimidoyl]sulfanylacetate

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1CCC(C2N=[N+]=[N-])C3=CC=CC=C3

DOS

IR

Vibrations