Geometry & MOs

Info

ID:	160770
PubChem CID:	57389731
Reduced:	O2N6C19H20 (1)
Stoich.:	A2B6C19D20 (1)
Weight, g/mol:	461.24269
ΔH_f, kcal/mol:	12.94
Dipole, Da:	3.62
IP(EA), eV:	-8.94(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-[(7-benzyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)oxymethyl]pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CN(CC2=CN=C(N=C21)NC3=CC=CC(=C3)C#N)C(=O)N4CCOCC4

DOS

IR

Vibrations