Geometry & MOs

Info

ID:	442037
PubChem CID:	135248295
Reduced:	NC11H23 (1)
Stoich.:	AB11C23 (1)
Weight, g/mol:	484.259817
ΔH_f, kcal/mol:	-46.64
Dipole, Da:	1.32
IP(EA), eV:	-8.56(3.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1S,5S)-3-[2-[4-(ethylcarbamoyl)-3-methylanilino]-5-fluoropyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate

Drug info:

PubChemData

Smile

CC1CC(CNC(C1)(C)C)(C)C

DOS

IR

Vibrations