Geometry & MOs

Info

ID:	13801
PubChem CID:	398404
Reduced:	NO3C9H15 (2)
Stoich.:	AB3C9D15 (2)
Weight, g/mol:	370.210387
ΔH_f, kcal/mol:	-287.92
Dipole, Da:	2.42
IP(EA), eV:	-9.11(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-2-enedioic acid;tert-butyl 3-pyrrolidin-1-ylpiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC(C1)N2CCCC2.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations