Geometry & MOs

Info

ID:

447770

PubChem CID:

135285518

Reduced:

N3C13H13 (2)

Stoich.:

A3B13C13 (2)

Weight, g/mol:

610.266794

ΔHf, kcal/mol:

157.05

Dipole, Da:

6.39

IP(EA), eV:

 -7.93(-1.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[(2Z)-2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1,2-dihydroindazol-3-ylidene]indol-4-yl]-5-fluorophenoxy]-N,N-dimethylethanamine

Drug info:

PubChemData

Smile

CC1=C(C=NC=C1)C2=CC\3=C(C=C2)NN/C3=C\4/C=C5C(=N4)C=CC=C5N6CCN(CC6)C

DOS

IR

Vibrations