Geometry & MOs

Info

ID:	416749
PubChem CID:	135090282
Reduced:	ON3C17H23 (1)
Stoich.:	AB3C17D23 (1)
Weight, g/mol:	364.17467
ΔH_f, kcal/mol:	10.9
Dipole, Da:	2.17
IP(EA), eV:	-8.64(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5S)-9-[2-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)acetyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]acetic acid

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2CCCCN2CCC3=CNN=C3

DOS

IR

Vibrations