Geometry & MOs

Info

ID:

146701

PubChem CID:

53731821

Reduced:

N3C37H43 (1)

Stoich.:

A3B37C43 (1)

Weight, g/mol:

530.320331

ΔHf, kcal/mol:

76.18

Dipole, Da:

5.65

IP(EA), eV:

 -8.41(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

diethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]propanedioate

Drug info:

PubChemData

Smile

CCCC(=C(C1CCC1)C2=CC=CC3=C(C=CC=C32)C#N)C4=CC5=C(C=C4)NC=C5C6CCN(CC6)C(C)(C)C

DOS

IR

Vibrations