Geometry & MOs

Info

ID:	417250
PubChem CID:	135091793
Reduced:	N3C11H13 (2)
Stoich.:	A3B11C13 (2)
Weight, g/mol:	353.140927
ΔH_f, kcal/mol:	61.25
Dipole, Da:	3.73
IP(EA), eV:	-8.33(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5S)-9-(2-propyl-1,3-thiazole-4-carbonyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C=C3CCCC3=C2)N4CCN(CC4)C5=NC(=NC(=C5)C)N

DOS

IR

Vibrations