Geometry & MOs

Info

ID:	423681
PubChem CID:	135119981
Reduced:	ON4C16H24 (1)
Stoich.:	AB4C16D24 (1)
Weight, g/mol:	312.098918
ΔH_f, kcal/mol:	-22.06
Dipole, Da:	5.39
IP(EA), eV:	-8.68(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)CC(=O)N(C)C

DOS

IR

Vibrations