Geometry & MOs

Info

ID:

186245

PubChem CID:

77411002

Reduced:

F2N4O9C42H48 (1)

Stoich.:

A2B4C9D42E48 (1)

Weight, g/mol:

388.201159

ΔHf, kcal/mol:

-368.43

Dipole, Da:

4.14

IP(EA), eV:

 -8.57(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1H-indol-4-yl-[2-methyl-5-[[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCN(CC)CCOC1=CC2=NC=CC(=C2C=C1OC)OC3=C(C=C(C=C3)NC(=O)C4(C(C4C)C)C(=O)NC5=CC=C(C=C5)F)F.CC1C(C1(C(=O)O)C(=O)O)C

DOS

IR

Vibrations