Geometry & MOs

Info

ID:	76666
PubChem CID:	48425215
Reduced:	F3O3N4C15H27 (1)
Stoich.:	A3B3C4D15E27 (1)
Weight, g/mol:	395.182062
ΔH_f, kcal/mol:	-313.76
Dipole, Da:	4.74
IP(EA), eV:	-8.83(0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1CCCOCC(F)(F)F)C(=O)CCCCNC(=O)N

DOS

IR

Vibrations