Geometry & MOs

Info

ID:	427210
PubChem CID:	135156136
Reduced:	FOSN4C18H19 (1)
Stoich.:	ABCD4E18F19 (1)
Weight, g/mol:	610.238306
ΔH_f, kcal/mol:	-22.28
Dipole, Da:	6.24
IP(EA), eV:	-9.64(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[8-(2-chlorophenyl)-9-[6-(difluoromethoxy)pyridin-3-yl]purin-6-yl]piperidin-4-yl]-3-(cyclohexylmethyl)urea

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC=C(C=C1)C2=C(C(=O)N3CC(CSC3=N2)CF)C#N

DOS

IR

Vibrations