Geometry & MOs

Info

ID:	442990
PubChem CID:	135257298
Reduced:	ClON4C23H27 (1)
Stoich.:	ABC4D23E27 (1)
Weight, g/mol:	448.177837
ΔH_f, kcal/mol:	6.03
Dipole, Da:	2.78
IP(EA), eV:	-8.47(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-3-[4-[(3S,4R)-4-methanimidoyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-methylpyrazolo[1,5-a]pyrazin-7-yl]benzonitrile

Drug info:

PubChemData

Smile

C[C@@H]1C(OCC12CCN(CC2)C3=NC(=C(N4C3=NC=C4)C5=CC(=CC=C5)Cl)C)C

DOS

IR

Vibrations