Geometry & MOs

Info

ID:	417958
PubChem CID:	135103175
Reduced:	ON5C16H23 (1)
Stoich.:	AB5C16D23 (1)
Weight, g/mol:	347.232125
ΔH_f, kcal/mol:	29.62
Dipole, Da:	1.83
IP(EA), eV:	-8.33(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane

Drug info:

PubChemData

Smile

CC1=CN=C(N=C1N(C)C)N2CCN(CC2)CC3=CC=CO3

DOS

IR

Vibrations