Geometry & MOs

Info

ID:	418029
PubChem CID:	135103349
Reduced:	N3O4C19H21 (1)
Stoich.:	A3B4C19D21 (1)
Weight, g/mol:	268.109089
ΔH_f, kcal/mol:	-91.45
Dipole, Da:	3.24
IP(EA), eV:	-8.56(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OCC(=O)N2CC(=O)N3CCCC3C4=NOC(=C4)C

DOS

IR

Vibrations