Geometry & MOs

Info

ID:

182525

PubChem CID:

76900849

Reduced:

FON7C18H22 (1)

Stoich.:

ABC7D18E22 (1)

Weight, g/mol:

616.192499

ΔHf, kcal/mol:

4.75

Dipole, Da:

2.13

IP(EA), eV:

 -8.93(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]-5-chloroimidazo[1,5-a]pyrazin-1-yl]-3-ethoxy-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C(C=C(C=C2)NC3=NC(=C(N=N3)C(=O)N)NC4CC4)F

DOS

IR

Vibrations