Geometry & MOs

Info

ID:

448217

PubChem CID:

135289343

Reduced:

FN8H17C23 (1)

Stoich.:

AB8C17D23 (1)

Weight, g/mol:

554.170037

ΔHf, kcal/mol:

181.25

Dipole, Da:

11.14

IP(EA), eV:

 -8.51(-2.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[(2Z)-2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1,2-dihydroindazol-3-ylidene]pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NC=C(N1C)C2=NC\3=C(C=C2)NN/C3=C\4/N=C5C(=CC=NC5=N4)C6=CC=CC=C6F

DOS

IR

Vibrations