Geometry & MOs

Info

ID:	179040
PubChem CID:	76425557
Reduced:	O2N4C19H30 (1)
Stoich.:	A2B4C19D30 (1)
Weight, g/mol:	251.109233
ΔH_f, kcal/mol:	-77.78
Dipole, Da:	3.77
IP(EA), eV:	-8.51(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3,3a,4,7,7a-hexahydroisoindol-2-ylmethyl)-5-methoxy-1,3,4-thiadiazole

Drug info:

PubChemData

Smile

CCC1=NC(=C(N1)C)C2CN(CC2C(=O)N3CCC4(CC3)CCO4)C

DOS

IR

Vibrations