Geometry & MOs

Info

ID:	378351
PubChem CID:	134224429
Reduced:	N3C7H13 (1)
Stoich.:	A3B7C13 (1)
Weight, g/mol:	221.116427
ΔH_f, kcal/mol:	34.46
Dipole, Da:	3.82
IP(EA), eV:	-8.07(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,6-diamino-1-azabicyclo[5.2.0]nona-2,4,6-triene-3-carboxylate

Drug info:

PubChemData

Smile

CN/C(=C\C=C/C(=C)N)/N

DOS

IR

Vibrations