Geometry & MOs

Info

ID:	319351
PubChem CID:	126655720
Reduced:	OCl2N4H34C35 (1)
Stoich.:	AB2C4D34E35 (1)
Weight, g/mol:	224.116092
ΔH_f, kcal/mol:	60.84
Dipole, Da:	6.28
IP(EA), eV:	-8.55(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S,4R)-3-oxa-5,10-diazatetracyclo[5.3.1.02,4.04,9]undecane-10-carboxylate

Drug info:

PubChemData

Smile

C1CC1N=C(C2CCN(CC2)C3=CC=CC(=C3)C(=O)N)C4=C(C=CC(=C4)C(C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)Cl)N

DOS

IR

Vibrations