Geometry & MOs

Info

ID:	360540
PubChem CID:	127301185
Reduced:	F3O3N5C17H20 (1)
Stoich.:	A3B3C5D17E20 (1)
Weight, g/mol:	380.188212
ΔH_f, kcal/mol:	-273.84
Dipole, Da:	5.55
IP(EA), eV:	-9.22(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-[4-(oxolane-2-carbonyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)CN2CCC(=O)NC2=O)C3=NC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations