Geometry & MOs

Info

ID:

317680

PubChem CID:

126644964

Reduced:

N2O2F3C25H25 (1)

Stoich.:

A2B2C3D25E25 (1)

Weight, g/mol:

643.31341

ΔHf, kcal/mol:

-174.05

Dipole, Da:

6.77

IP(EA), eV:

 -8.61(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-N-[(1S,2S)-2-[[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1CN(C1)C2=CC=CC(=C2)N3C=C(C4=C3C=CC(=C4)C(F)(F)F)CC5CCC5

DOS

IR

Vibrations