Geometry & MOs

Info

ID:	418214
PubChem CID:	135103880
Reduced:	N2O2F3C18H23 (1)
Stoich.:	A2B2C3D18E23 (1)
Weight, g/mol:	307.200825
ΔH_f, kcal/mol:	-190.87
Dipole, Da:	6.15
IP(EA), eV:	-8.78(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-6-propan-2-yloxypyrimidin-2-amine

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)F)C(=O)N2CCCN(CC2)CCC3CC3(F)F

DOS

IR

Vibrations