Geometry & MOs

Info

ID:	241001
PubChem CID:	93619208
Reduced:	ON2C14H16 (1)
Stoich.:	AB2C14D16 (1)
Weight, g/mol:	340.135782
ΔH_f, kcal/mol:	22.22
Dipole, Da:	4.54
IP(EA), eV:	-9.25(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C#CCN(CC(=O)N)[C@@H]1CCC2=CC=CC=C12

DOS

IR

Vibrations