Geometry & MOs

Info

ID:

436811

PubChem CID:

135211784

Reduced:

O2N3C19H31 (1)

Stoich.:

A2B3C19D31 (1)

Weight, g/mol:

598.363139

ΔHf, kcal/mol:

-80.25

Dipole, Da:

0.65

IP(EA), eV:

 -8.04(0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-6-yl]-4-(4,4-dimethylpiperidin-1-yl)-2,6-dimethylpyridin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1N2CCC(CC2)N3CCOCC3)OC(C)C)N

DOS

IR

Vibrations