Geometry & MOs

Info

ID:

313637

PubChem CID:

126616770

Reduced:

N3C14H14 (2)

Stoich.:

A3B14C14 (2)

Weight, g/mol:

468.371579

ΔHf, kcal/mol:

123.9

Dipole, Da:

6.49

IP(EA), eV:

 -8.2(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2S,5R)-5-methyl-N-[(2S)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]-2-phenylethyl]-2-propan-2-ylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C#N)C2=CC3=C(CC(C3)(CN)C4=CC=CC(=C4)C5=C6C=CNC6=NC=N5)C=C2

DOS

IR

Vibrations