Geometry & MOs

Info

ID:	448518
PubChem CID:	135291491
Reduced:	NC6H9 (2)
Stoich.:	AB6C9 (2)
Weight, g/mol:	294.194343
ΔH_f, kcal/mol:	56.93
Dipole, Da:	2.78
IP(EA), eV:	-8.58(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-5-cyclopentyl-2-hydroxy-4,9-diazatricyclo[4.3.1.03,8]decane-9-carboxylate

Drug info:

PubChemData

Smile

CCC(C)(C)N=C=N/C(=C/C=C)/C=C

DOS

IR

Vibrations