Geometry & MOs

Info

ID:	325807
PubChem CID:	126685059
Reduced:	NOC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	374.185509
ΔH_f, kcal/mol:	-44.85
Dipole, Da:	2.78
IP(EA), eV:	-8.87(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-(7-cyclobutyl-2-methylpyrrolo[2,3-d]pyrimidin-5-yl)cyclobutyl]-1H-pyrrolo[2,3-d]pyrimidin-2-one

Drug info:

PubChemData

Smile

C/C=C\C1=C(C(=O)N(C1=O)[C@H]2CCCNC2)C=C

DOS

IR

Vibrations