Geometry & MOs

Info

ID:

164177

PubChem CID:

74382212

Reduced:

O13N16C58H82 (1)

Stoich.:

A13B16C58D82 (1)

Weight, g/mol:

430.184368

ΔHf, kcal/mol:

-530.61

Dipole, Da:

13.8

IP(EA), eV:

 -8.59(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CCCNC(=NC)N)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N)NC(=O)NNC(=O)C(CC3=CC=CC=C3)NC(=O)C(C(C)O)NC(=O)C(C(C)N)NC(=O)C4CC(CN4C(=O)C(CC5=CC=C(C=C5)O)NC(=O)C)O

DOS

IR

Vibrations