Geometry & MOs

Info

ID:

323802

PubChem CID:

126676209

Reduced:

FO2N6C36H41 (1)

Stoich.:

AB2C6D36E41 (1)

Weight, g/mol:

557.33659

ΔHf, kcal/mol:

-33.39

Dipole, Da:

3.86

IP(EA), eV:

 -8.29(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-N-[(1S,2S)-2-[(3,4-dimethylphenyl)methoxy]cyclopentyl]-5-[4-[[3-(2-hydroxyethylamino)pyrrolidin-1-yl]methyl]phenyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C2=CC=C(C=C2)COC3CCC[C@@H]3NC(=O)C4=C(N=CC(=C4)C5=CN=C(C=C5)F)N)N6CCN(CC6)C

DOS

IR

Vibrations