Geometry & MOs

Info

ID:

444178

PubChem CID:

135261597

Reduced:

FON8C34H35 (1)

Stoich.:

ABC8D34E35 (1)

Weight, g/mol:

603.32342

ΔHf, kcal/mol:

84.07

Dipole, Da:

4.23

IP(EA), eV:

 -8.43(-1.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(2Z)-2-[5-[5-[(cyclopentylmethylamino)methyl]pyridin-3-yl]-1,2-dihydropyrazolo[3,4-c]pyridin-3-ylidene]pyrrolo[3,2-c]pyridin-4-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NC1=CN=CC(=C1)C2=CC\3=C(NN/C3=C\4/C=C5C(=N4)C=CC=C5C6=CC(=CC(=C6)F)NCCN(C)C)N=C2

DOS

IR

Vibrations