Geometry & MOs

Info

ID:	441693
PubChem CID:	135240867
Reduced:	ON9C24H25 (1)
Stoich.:	AB9C24D25 (1)
Weight, g/mol:	303.03711
ΔH_f, kcal/mol:	115.44
Dipole, Da:	5.83
IP(EA), eV:	-8.66(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-bromopyrazolo[1,5-a]pyridin-4-yl)cyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

CC(=O)NC1(CCCN(C1)C2=NC=C(C=C2)C3=NC(=CN4C3=C(C=N4)C#N)C5=CN(N=C5)C)C

DOS

IR

Vibrations