Geometry & MOs

Info

ID:	383942
PubChem CID:	134976016
Reduced:	ClNO4C13H24 (1)
Stoich.:	ABC4D13E24 (1)
Weight, g/mol:	192.089878
ΔH_f, kcal/mol:	-155.45
Dipole, Da:	4.81
IP(EA), eV:	-10.98(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,2-dimethoxyethyl)pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

COC(=O)CCCCCCCCCCC([N+](=O)[O-])Cl

DOS

IR

Vibrations