Geometry & MOs

Info

ID:	436288
PubChem CID:	135197923
Reduced:	O3N4C24H28 (1)
Stoich.:	A3B4C24D28 (1)
Weight, g/mol:	559.233188
ΔH_f, kcal/mol:	-22.59
Dipole, Da:	2.3
IP(EA), eV:	-8.97(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-5-(4-cyanophenyl)-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxamide

Drug info:

PubChemData

Smile

C/C(=C\C=N/N=C)/C(=O)NC1=CC(=CC=C1)OCC(CN2CCC3=CC=CC=C3C2)O

DOS

IR

Vibrations