Geometry & MOs

Info

ID:	168486
PubChem CID:	74974823
Reduced:	P2N5C9O11H21 (1)
Stoich.:	A2B5C9D11E21 (1)
Weight, g/mol:	412.236208
ΔH_f, kcal/mol:	-624.18
Dipole, Da:	13.66
IP(EA), eV:	-9.8(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[2-(1-naphthalen-2-ylethylideneamino)oxyethoxy]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)[O-])O)O.[NH4+].[NH4+]

DOS

IR

Vibrations