Geometry & MOs

Info

ID:	415672
PubChem CID:	135088671
Reduced:	ON3C14H23 (1)
Stoich.:	AB3C14D23 (1)
Weight, g/mol:	318.169191
ΔH_f, kcal/mol:	-14.03
Dipole, Da:	5.36
IP(EA), eV:	-9.0(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5R)-7-(6-cyclopropylpyrimidin-4-yl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]acetic acid

Drug info:

PubChemData

Smile

CN1C=NC=C1CN(CCO)CC2CCC=CC2

DOS

IR

Vibrations