Geometry & MOs

Info

ID:	442954
PubChem CID:	135257117
Reduced:	NOC10H19 (1)
Stoich.:	ABC10D19 (1)
Weight, g/mol:	471.160807
ΔH_f, kcal/mol:	-67.56
Dipole, Da:	4.54
IP(EA), eV:	-8.38(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C1CCN(CC1(C)C)C

DOS

IR

Vibrations