Geometry & MOs

Info

ID:	250109
PubChem CID:	103094233
Reduced:	ClON3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	309.124405
ΔH_f, kcal/mol:	4.18
Dipole, Da:	2.27
IP(EA), eV:	-9.21(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-amino-N-(3-chloropyridin-2-yl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octane-7-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC[C@@H](C(=O)NC2=C(C=CC=N2)Cl)N

DOS

IR

Vibrations