Geometry & MOs

Info

ID:	136820
PubChem CID:	52106959
Reduced:	NO3C19H23 (1)
Stoich.:	AB3C19D23 (1)
Weight, g/mol:	304.06147
ΔH_f, kcal/mol:	-91.89
Dipole, Da:	3.81
IP(EA), eV:	-8.54(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-(pyridin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2C)OC)OC

DOS

IR

Vibrations