Geometry & MOs

Info

ID:

309737

PubChem CID:

126556738

Reduced:

ON7C18H29 (1)

Stoich.:

AB7C18D29 (1)

Weight, g/mol:

619.307102

ΔHf, kcal/mol:

8.53

Dipole, Da:

5.0

IP(EA), eV:

 -8.68(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-fluoro-5-[(2Z)-2-[5-[3-methyl-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2-dihydropyrazolo[3,4-c]pyridin-3-ylidene]pyrrolo[3,2-c]pyridin-4-yl]phenoxy]-N,N-dimethylethanamine

Drug info:

PubChemData

Smile

CCC(C1=C2C=NN(C2=NC=N1)CCCN3CCCCCC3)NC(=O)N

DOS

IR

Vibrations