Geometry & MOs

Info

ID:	256637
PubChem CID:	103140366
Reduced:	N3O4C14H15 (1)
Stoich.:	A3B4C14D15 (1)
Weight, g/mol:	183.162314
ΔH_f, kcal/mol:	-63.28
Dipole, Da:	10.8
IP(EA), eV:	-9.09(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-methyloxolan-2-yl)methyl]piperidine

Drug info:

PubChemData

Smile

CC(CCC(=O)O)NC1=C2C=NC=CC2=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations