Geometry & MOs

Info

ID:	220535
PubChem CID:	85197679
Reduced:	ClO2N4C15H21 (1)
Stoich.:	AB2C4D15E21 (1)
Weight, g/mol:	324.135304
ΔH_f, kcal/mol:	-74.73
Dipole, Da:	3.22
IP(EA), eV:	-9.18(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-(4-chloropyrimidin-2-yl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C2CCC1CN(C2)C3=NC(=NC=C3)Cl

DOS

IR

Vibrations