Geometry & MOs

Info

ID:	331599
PubChem CID:	127249608
Reduced:	O2N6C25H32 (1)
Stoich.:	A2B6C25D32 (1)
Weight, g/mol:	434.186652
ΔH_f, kcal/mol:	-26.19
Dipole, Da:	4.37
IP(EA), eV:	-9.04(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(2-fluorophenyl)methyl]-4-methyl-2-[1-(2-pyrazol-1-ylacetyl)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)CCC4=NNC5=C4CCCC5)CC6CC6

DOS

IR

Vibrations