Geometry & MOs

Info

ID:	443914
PubChem CID:	135260482
Reduced:	ON5C27H27 (1)
Stoich.:	AB5C27D27 (1)
Weight, g/mol:	361.153875
ΔH_f, kcal/mol:	76.86
Dipole, Da:	6.85
IP(EA), eV:	-8.52(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-(4-cyanopiperidin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]phenyl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)(CN1C=C(C=N1)C2=CC=C(C=C2)C3=CN=C4C(=C3C5=CCC(CC5)C#N)C=CN4)O

DOS

IR

Vibrations