Geometry & MOs

Info

ID:

186587

PubChem CID:

77449155

Reduced:

O2N8H22C25 (1)

Stoich.:

A2B8C22D25 (1)

Weight, g/mol:

675.322083

ΔHf, kcal/mol:

122.04

Dipole, Da:

8.48

IP(EA), eV:

 -8.58(-2.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[7-(8-fluoro-5-methyl-3,4-dihydro-2H-chromen-6-yl)-3,5-dimethyl-2-[3-(1-methylindazol-5-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate

Drug info:

PubChemData

Smile

CNC(=O)C1=NC=C(C=C1)C2=CC=C(C=C2)C3=NN(C(=C4NC5=CC(C=CC5=N4)C(=N)N)C3=O)C

DOS

IR

Vibrations