Geometry & MOs

Info

ID:	76648
PubChem CID:	48425191
Reduced:	N2O2F3C19H27 (1)
Stoich.:	A2B2C3D19E27 (1)
Weight, g/mol:	410.192961
ΔH_f, kcal/mol:	-245.94
Dipole, Da:	4.99
IP(EA), eV:	-8.96(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-benzylpyrazol-4-yl)-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CCC(=O)N2CCN(CC2)CCCOCC(F)(F)F

DOS

IR

Vibrations