Geometry & MOs

Info

ID:

436808

PubChem CID:

135211757

Reduced:

O3N5C36H41 (1)

Stoich.:

A3B5C36D41 (1)

Weight, g/mol:

640.329252

ΔHf, kcal/mol:

-52.99

Dipole, Da:

4.6

IP(EA), eV:

 -9.03(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[2-[(2-chloro-6-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]-4-(4,4-dimethylpiperidin-1-yl)-2-methyl-6-(2-pyrazol-1-ylethylamino)pyridin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)C)C2=CC3=C(CN(CC3)C4=NC=NC(=C4)C5=CC(=CC=C5)OC)C=C2)N6CCC(CC6)(C)C)CC(=O)O

DOS

IR

Vibrations