Geometry & MOs

Info

ID:	361318
PubChem CID:	127302513
Reduced:	N3O3C19H27 (1)
Stoich.:	A3B3C19D27 (1)
Weight, g/mol:	326.188881
ΔH_f, kcal/mol:	-27.4
Dipole, Da:	4.88
IP(EA), eV:	-8.55(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-[(1,4-dimethylpiperazin-2-yl)methyl]urea

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2C(=O)NC3=CC=CC=C3CN4CCOCC4)O

DOS

IR

Vibrations