Geometry & MOs

Info

ID:

310558

PubChem CID:

126582106

Reduced:

N3O5C37H47 (1)

Stoich.:

A3B5C37D47 (1)

Weight, g/mol:

628.354404

ΔHf, kcal/mol:

-206.7

Dipole, Da:

6.47

IP(EA), eV:

 -8.78(-0.35)

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-(piperidin-1-ylmethyl)pyridin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)C(C)O)C2=CC3=C(CN(CC3)C(=O)OCC4=CC=CC=C4)C=C2)N5CCC(CC5)(C)C)CC(=O)OC(C)C

DOS

IR

Vibrations