Geometry & MOs

Info

ID:	367100
PubChem CID:	127323153
Reduced:	O2N4C17H30 (1)
Stoich.:	A2B4C17D30 (1)
Weight, g/mol:	375.15291
ΔH_f, kcal/mol:	-67.72
Dipole, Da:	3.44
IP(EA), eV:	-8.43(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-cyclobutylpiperazin-1-yl)methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)N(C)CC(=O)NC1CC1)N2CCN(CC2)C3CCC3

DOS

IR

Vibrations