Geometry & MOs

Info

ID:	428020
PubChem CID:	135165749
Reduced:	OF2N3C15H27 (1)
Stoich.:	AB2C3D15E27 (1)
Weight, g/mol:	550.199635
ΔH_f, kcal/mol:	-194.03
Dipole, Da:	3.49
IP(EA), eV:	-8.72(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-[6-[(3-chloro-4-methoxyphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridin-3-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)N1CCC(CC1)NC(=O)N2CCC(CC2)(F)F

DOS

IR

Vibrations