Geometry & MOs

Info

ID:	185221
PubChem CID:	77271607
Reduced:	O4C10H15 (2)
Stoich.:	A4B10C15 (2)
Weight, g/mol:	517.280138
ΔH_f, kcal/mol:	-314.85
Dipole, Da:	2.01
IP(EA), eV:	-9.7(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-cycloheptyl-2-[[5-(7-hydroxy-2-azabicyclo[2.2.1]heptane-2-carbonyl)pyridin-2-yl]amino]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CCOCOC1C2C(COC(O2)C3=CC=CC=C3)OC(C1OCOCC)OC

DOS

IR

Vibrations