Geometry & MOs

Info

ID:	442083
PubChem CID:	135249479
Reduced:	NO2C7H14 (2)
Stoich.:	AB2C7D14 (2)
Weight, g/mol:	474.193487
ΔH_f, kcal/mol:	-196.51
Dipole, Da:	2.44
IP(EA), eV:	-8.94(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[3-chloro-4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)CC(=O)NCCOCCOCCNC

DOS

IR

Vibrations