Geometry & MOs

Info

ID:	421445
PubChem CID:	135116022
Reduced:	N7C11H17 (1)
Stoich.:	A7B11C17 (1)
Weight, g/mol:	277.179027
ΔH_f, kcal/mol:	84.17
Dipole, Da:	3.99
IP(EA), eV:	-8.96(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5S)-7-[(2-methoxypyridin-3-yl)methyl]-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane

Drug info:

PubChemData

Smile

CCC1=CN=C(N=C1NCCCN2C=CN=N2)N

DOS

IR

Vibrations