Geometry & MOs

Info

ID:	416217
PubChem CID:	135089227
Reduced:	ON4C15H24 (1)
Stoich.:	AB4C15D24 (1)
Weight, g/mol:	364.114002
ΔH_f, kcal/mol:	-24.88
Dipole, Da:	2.87
IP(EA), eV:	-8.53(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfanyl-7-[[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2CCN(CC2)C3CCOCC3)C

DOS

IR

Vibrations