Geometry & MOs

Info

ID:

186193

PubChem CID:

77401301

Reduced:

NO3C25H27 (1)

Stoich.:

AB3C25D27 (1)

Weight, g/mol:

534.341735

ΔHf, kcal/mol:

-78.11

Dipole, Da:

5.03

IP(EA), eV:

 -8.82(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[[1-[(4,4,11,11-tetraethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl)methyl]piperidin-4-yl]amino]acetyl]pyrrolidine-2-carbonitrile

Drug info:

PubChemData

Smile

CCC1=C2C(=CC(=C1)C=C)C(=C(C(=N2)C)C(CO)O)C3=CC4=C(C=C3)OCCC4

DOS

IR

Vibrations