Geometry & MOs

Info

ID:	76499
PubChem CID:	48425005
Reduced:	F3N4O4C18H21 (1)
Stoich.:	A3B4C4D18E21 (1)
Weight, g/mol:	375.176976
ΔH_f, kcal/mol:	-213.68
Dipole, Da:	7.07
IP(EA), eV:	-9.02(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)C2=CC3=C(N2)C(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations