Geometry & MOs

Info

ID:	374165
PubChem CID:	131324722
Reduced:	INSH4O4C9 (1)
Stoich.:	ABCD4E4F9 (1)
Weight, g/mol:	223.168462
ΔH_f, kcal/mol:	-24.29
Dipole, Da:	6.33
IP(EA), eV:	-9.71(-2.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-methylpiperidin-3-yl)oxypiperidine-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C2=C1C=C(S2)I)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations