Geometry & MOs

Info

ID:

310561

PubChem CID:

126582175

Reduced:

FN2O4C30H35 (1)

Stoich.:

AB2C4D30E35 (1)

Weight, g/mol:

500.289974

ΔHf, kcal/mol:

-162.0

Dipole, Da:

2.95

IP(EA), eV:

 -8.74(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[6-amino-4-(4,4-dimethylpiperidin-1-yl)-2-methyl-5-[2-(6-methylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-6-yl]pyridin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC1(CCN(CC1)C2=C(C(=NC=C2CC(=O)O)COC)C3=CC=C(C=C3)OCCC4=CC=C(C=C4)F)C

DOS

IR

Vibrations