Geometry & MOs

Info

ID:	169978
PubChem CID:	75176266
Reduced:	N2O3H12C13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	572.378515
ΔH_f, kcal/mol:	5.57
Dipole, Da:	5.66
IP(EA), eV:	-9.17(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-but-2-enedioic acid;tert-butyl 4-(methylaminomethyl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CNCC2=C1OC(=C2)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations