Geometry & MOs

Info

ID:	49757
PubChem CID:	11533733
Reduced:	O2F3N7C25H34 (1)
Stoich.:	A2B3C7D25E34 (1)
Weight, g/mol:	521.286527
ΔH_f, kcal/mol:	-187.63
Dipole, Da:	1.67
IP(EA), eV:	-8.61(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[1-[4-[2-(1-methoxypropan-2-ylamino)ethoxy]-2,3-dimethylphenyl]ethyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

Drug info:

PubChemData

Smile

C1CN(CCC1CCO)C2=CC(=NC(=N2)N3CCOCC3)N4CCN(CC4)C5=C(C=CC=N5)C(F)(F)F

DOS

IR

Vibrations