Geometry & MOs

Info

ID:	442957
PubChem CID:	135257129
Reduced:	NO2C10H19 (1)
Stoich.:	AB2C10D19 (1)
Weight, g/mol:	441.193153
ΔH_f, kcal/mol:	-105.04
Dipole, Da:	2.06
IP(EA), eV:	-9.03(2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(C12OCCO2)CNC

DOS

IR

Vibrations