Geometry & MOs

Info

ID:	318553
PubChem CID:	126651872
Reduced:	N2O2F6C23H26 (1)
Stoich.:	A2B2C6D23E26 (1)
Weight, g/mol:	448.197377
ΔH_f, kcal/mol:	-361.4
Dipole, Da:	4.78
IP(EA), eV:	-8.83(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 4-[[4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCN1CCCO)CC2=CC=C(C=C2)C3=CC=C(C=C3)C(C(F)(F)F)(C(F)(F)F)O

DOS

IR

Vibrations