Geometry & MOs

Info

ID:	253827
PubChem CID:	103120929
Reduced:	ON4C16H20 (1)
Stoich.:	AB4C16D20 (1)
Weight, g/mol:	255.11201
ΔH_f, kcal/mol:	10.88
Dipole, Da:	2.61
IP(EA), eV:	-9.12(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(pyrazolo[1,5-a]pyridine-3-carbonyl)piperazine-2-carbonitrile

Drug info:

PubChemData

Smile

CC1(C2CNCC2CN1C(=O)C3=C4C=CC=CN4N=C3)C

DOS

IR

Vibrations