Geometry & MOs

Info

ID:	331597
PubChem CID:	127249606
Reduced:	O3N6C24H26 (1)
Stoich.:	A3B6C24D26 (1)
Weight, g/mol:	448.202302
ΔH_f, kcal/mol:	-25.59
Dipole, Da:	3.97
IP(EA), eV:	-8.97(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-(2-fluorophenyl)ethyl]-4-methyl-2-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

Drug info:

PubChemData

Smile

CC1=C2CC(=O)N(C2=NC(=N1)C3CCN(C3)C(=O)C4=CC=NN4C)CC5=CC=C(C=C5)OC

DOS

IR

Vibrations