Geometry & MOs

Info

ID:	230934
PubChem CID:	87572279
Reduced:	N2O2C6H13 (2)
Stoich.:	A2B2C6D13 (2)
Weight, g/mol:	180.162649
ΔH_f, kcal/mol:	-200.5
Dipole, Da:	5.55
IP(EA), eV:	-9.27(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-3-(azetidin-1-yl)prop-2-enyl]piperidine

Drug info:

PubChemData

Smile

CC(C)CCC(=O)O.C(C[C@@H](C(=O)O)N)CN=C(N)N

DOS

IR

Vibrations