Geometry & MOs

Info

ID:

189042

PubChem CID:

77807707

Reduced:

ClIO2N4H22C24 (1)

Stoich.:

ABC2D4E22F24 (1)

Weight, g/mol:

604.329252

ΔHf, kcal/mol:

24.28

Dipole, Da:

7.68

IP(EA), eV:

 -8.3(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-[(2-methylphenyl)methylamino]propanamide

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=C(C=C(C=C2)NC3=CC(=CN(C3=O)C(C)C4=CC=C(C=C4)I)Cl)OC

DOS

IR

Vibrations