Geometry & MOs

Info

ID:	401105
PubChem CID:	135050141
Reduced:	IN2O4C28H31 (1)
Stoich.:	AB2C4D28E31 (1)
Weight, g/mol:	405.233535
ΔH_f, kcal/mol:	-39.5
Dipole, Da:	11.5
IP(EA), eV:	-7.44(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[benzyl(trimethylsilyl)amino]-5-(2-ethoxy-2-oxoethyl)cyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

C[N+]1(CC(C2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)O)C4=CC=CC=C4)CC#N.[I-]

DOS

IR

Vibrations