Geometry & MOs

Info

ID:	76602
PubChem CID:	48425135
Reduced:	N2O3F4C19H26 (1)
Stoich.:	A2B3C4D19E26 (1)
Weight, g/mol:	417.187541
ΔH_f, kcal/mol:	-323.75
Dipole, Da:	5.06
IP(EA), eV:	-8.81(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[4-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carbonyl]phenyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C(=O)N1CCN(CC1)CCCOCC(F)(F)F)OC2=CC=C(C=C2)F

DOS

IR

Vibrations