Geometry & MOs

Info

ID:	416702
PubChem CID:	135090131
Reduced:	N2O5C20H24 (1)
Stoich.:	A2B5C20D24 (1)
Weight, g/mol:	335.19574
ΔH_f, kcal/mol:	-149.45
Dipole, Da:	6.85
IP(EA), eV:	-8.53(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5S)-9-[[2-(ethylamino)pyrimidin-5-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]acetic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C(=O)N[C@H]2COC[C@H]2CC3=CC=NC=C3)OC)OC

DOS

IR

Vibrations