Geometry & MOs

Info

ID:	338304
PubChem CID:	127258996
Reduced:	PNa4N5O11C14H14 (1)
Stoich.:	AB4C5D11E14F14 (1)
Weight, g/mol:	289.204179
ΔH_f, kcal/mol:	-623.9
Dipole, Da:	12.97
IP(EA), eV:	-7.76(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(diethylamino)-1-phenylethyl] cyclopentanecarboxylate

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O)N[C@@H](CC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+]

DOS

IR

Vibrations