Geometry & MOs

Info

ID:

325541

PubChem CID:

126683860

Reduced:

FNO3C33H34 (1)

Stoich.:

ABC3D33E34 (1)

Weight, g/mol:

481.280138

ΔHf, kcal/mol:

-120.06

Dipole, Da:

6.1

IP(EA), eV:

 -8.73(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[4-[(4-aminopyrimidin-5-yl)oxymethyl]piperidin-1-yl]-N-(1-cyclopropylethyl)-2-[[(1S,2R)-2-methylcyclopropyl]methoxy]pyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)C(=O)O)[C@@H]2C[C@@H](OC3=CC=CC=C23)CCCN[C@H](C)C4=CC=C(C5=CC=CC=C54)F

DOS

IR

Vibrations