Geometry & MOs

Info

ID:	209103
PubChem CID:	80624209
Reduced:	OSCl2N3H7C9 (1)
Stoich.:	ABC2D3E7F9 (1)
Weight, g/mol:	223.089167
ΔH_f, kcal/mol:	31.74
Dipole, Da:	6.61
IP(EA), eV:	-9.12(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-pyrazol-1-yl-1,3,4-thiadiazol-2-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)OC2=NN=C(S2)CN)Cl

DOS

IR

Vibrations