Geometry & MOs

Info

ID:	126799
PubChem CID:	50979445
Reduced:	O2N3C15H29 (1)
Stoich.:	A2B3C15D29 (1)
Weight, g/mol:	317.185175
ΔH_f, kcal/mol:	-106.73
Dipole, Da:	4.31
IP(EA), eV:	-8.94(1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,6R)-9-[2-amino-6-(2-methylpropyl)pyrimidine-4-carbonyl]-3,9-diazabicyclo[4.2.1]nonan-4-one

Drug info:

PubChemData

Smile

CN1C[C@@H](C[C@H]1CO)NC(=O)CN2CCCCCCC2

DOS

IR

Vibrations