Geometry & MOs

Info

ID:	306389
PubChem CID:	125011540
Reduced:	O2N6C17H24 (1)
Stoich.:	A2B6C17D24 (1)
Weight, g/mol:	410.211804
ΔH_f, kcal/mol:	-6.9
Dipole, Da:	4.67
IP(EA), eV:	-9.11(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C(=O)N(C)C[C@]2(CCCN(C2)C3=NC=CN=C3)O

DOS

IR

Vibrations