Geometry & MOs

Info

ID:	345692
PubChem CID:	127269992
Reduced:	ON3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	374.141262
ΔH_f, kcal/mol:	-18.48
Dipole, Da:	6.77
IP(EA), eV:	-8.65(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl-[3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]methanone

Drug info:

PubChemData

Smile

C1CCCC(CC1)C(=O)N2CCCN3C2=CC=N3

DOS

IR

Vibrations