Geometry & MOs

Info

ID:	449841
PubChem CID:	135302055
Reduced:	OC21H26 (1)
Stoich.:	AB21C26 (1)
Weight, g/mol:	395.127918
ΔH_f, kcal/mol:	-10.22
Dipole, Da:	1.68
IP(EA), eV:	-8.57(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-7-methyl-5-[4-(trifluoromethyl)phenyl]-3-[2-(trimethyl-lambda4-sulfanyl)ethynyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

Drug info:

PubChemData

Smile

CC(C)(C1CCCCC1)OC2CC3=C2C4=CC=CC=C4C=C3

DOS

IR

Vibrations