Geometry & MOs

Info

ID:	375387
PubChem CID:	131500172
Reduced:	INOC12H16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	189.090212
ΔH_f, kcal/mol:	-9.45
Dipole, Da:	0.9
IP(EA), eV:	-8.83(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-6-cyclobutyl-2-oxo-1H-pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1I)[C@@H]2CCCCN2

DOS

IR

Vibrations