Geometry & MOs

Info

ID:

312329

PubChem CID:

126604316

Reduced:

FO2N7H26C27 (1)

Stoich.:

AB2C7D26E27 (1)

Weight, g/mol:

478.211724

ΔHf, kcal/mol:

14.14

Dipole, Da:

4.01

IP(EA), eV:

 -8.97(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(2S)-2-[[4-amino-6-methyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]methyl]pyrrolidine-1-carbonyl]prop-2-enenitrile

Drug info:

PubChemData

Smile

CC(C)(C#N)C(=O)N1CCC[C@H]1CN2C3=NC=NC(=C3C(=N2)C4=C(C=C(C=C4)OC5=CC=CC=C5)F)N

DOS

IR

Vibrations