Geometry & MOs

Info

ID:	348247
PubChem CID:	127273312
Reduced:	NOC13H25 (1)
Stoich.:	ABC13D25 (1)
Weight, g/mol:	351.194677
ΔH_f, kcal/mol:	-81.74
Dipole, Da:	3.29
IP(EA), eV:	-8.66(2.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methyl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1(CC2CC(C1)(CN2CCCO)C)C

DOS

IR

Vibrations