Geometry & MOs

Info

ID:	241003
PubChem CID:	93621087
Reduced:	ClON3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	348.08116
ΔH_f, kcal/mol:	-9.91
Dipole, Da:	5.13
IP(EA), eV:	-8.88(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[[(1S)-1-(4-chlorophenyl)ethyl]-methylamino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

C[C@@H]1CN(CCO1)CC2=NC3=C(N2C)C=CC(=C3)Cl

DOS

IR

Vibrations