Geometry & MOs

Info

ID:

49383

PubChem CID:

11532951

Reduced:

N2O4C29H32 (1)

Stoich.:

A2B4C29D32 (1)

Weight, g/mol:

472.258674

ΔHf, kcal/mol:

-74.78

Dipole, Da:

3.41

IP(EA), eV:

 -9.11(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-methyl-6-[(3R)-3-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]-6-phenylpyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CN=C(N1)[C@@H]([C@H]([C@H](CO)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations