Geometry & MOs

Info

ID:	306324
PubChem CID:	125003761
Reduced:	ClO2N3C23H30 (1)
Stoich.:	AB2C3D23E30 (1)
Weight, g/mol:	290.174276
ΔH_f, kcal/mol:	-66.79
Dipole, Da:	3.75
IP(EA), eV:	-8.89(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(2-methoxyethyl)-4-methyl-2-[(2S)-2-methylpyrrolidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CN1CCO[C@@H](C1)C2=NC(=CC(=C2)CC3=CC=CC=C3Cl)C

DOS

IR

Vibrations