Geometry & MOs

Info

ID:	336005
PubChem CID:	127255012
Reduced:	ClON4C27H29 (1)
Stoich.:	ABC4D27E29 (1)
Weight, g/mol:	417.163474
ΔH_f, kcal/mol:	25.66
Dipole, Da:	2.64
IP(EA), eV:	-8.86(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4-oxobutanamide

Drug info:

PubChemData

Smile

CC(C)N1C2=CC=CC=C2N=C1[C@@H]3CCCN3C(=O)CC(C4=CC=C(C=C4)Cl)N5C=CC=C5

DOS

IR

Vibrations