Geometry & MOs

Info

ID:	379488
PubChem CID:	134436181
Reduced:	O2N3C16H18 (2)
Stoich.:	A2B3C16D18 (2)
Weight, g/mol:	233.152812
ΔH_f, kcal/mol:	-45.29
Dipole, Da:	7.2
IP(EA), eV:	-8.57(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(6-methoxypyridin-2-yl)methyl]-3-methyl-3,6-diazabicyclo[3.1.1]heptane

Drug info:

PubChemData

Smile

CC1(CCN(CC1)C2=NC=C(C=C2)C3=CC(=CN4C3=C(C=N4)C#N)OCC(C)(C)O)NC(=O)C5=CC=CC(=C5)COC

DOS

IR

Vibrations