Geometry & MOs

Info

ID:	208956
PubChem CID:	80607830
Reduced:	OSN4C13H22 (1)
Stoich.:	ABC4D13E22 (1)
Weight, g/mol:	320.95451
ΔH_f, kcal/mol:	-33.13
Dipole, Da:	6.43
IP(EA), eV:	-8.72(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1CCC(=O)N(CC1)CC2=NN=C(S2)N

DOS

IR

Vibrations