Geometry & MOs

Info

ID:

448139

PubChem CID:

135288752

Reduced:

Cl2O2N7C27H27 (1)

Stoich.:

A2B2C7D27E27 (1)

Weight, g/mol:

608.347489

ΔHf, kcal/mol:

37.74

Dipole, Da:

7.92

IP(EA), eV:

 -9.42(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[3-(1-benzylpyrazol-4-yl)phenyl]-5-(4,4-dimethylpiperidin-1-yl)-7-methyl-5H-imidazo[1,2-c]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

C1CCN(C1)CCNC(=O)[C@H](CC2=CC=CC=C2)N3C=NC(=CC3=O)C4=C(C=CC(=C4)Cl)N5C=C(N=N5)Cl

DOS

IR

Vibrations