Geometry & MOs

Info

ID:	173207
PubChem CID:	75611486
Reduced:	N6O11C15H16 (1)
Stoich.:	A6B11C15D16 (1)
Weight, g/mol:	310.131742
ΔH_f, kcal/mol:	-183.89
Dipole, Da:	18.47
IP(EA), eV:	-9.13(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methoxyphenyl)-6-(5-methylfuran-2-yl)-2-oxopiperidine-3-carbonitrile

Drug info:

PubChemData

Smile

C1C(C(OC1N2C=CC(=NC2=O)N)CO)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations