Geometry & MOs

Info

ID:	76676
PubChem CID:	48425226
Reduced:	N2O2F5C16H19 (1)
Stoich.:	A2B2C5D16E19 (1)
Weight, g/mol:	404.149382
ΔH_f, kcal/mol:	-313.99
Dipole, Da:	2.78
IP(EA), eV:	-8.88(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,3-dimethylthieno[2,3-c]pyrazol-5-yl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)C2=C(C=CC(=C2)F)F

DOS

IR

Vibrations