Geometry & MOs

Info

ID:	58933
PubChem CID:	24720160
Reduced:	SO3N6H22C23 (1)
Stoich.:	AB3C6D22E23 (1)
Weight, g/mol:	326.163043
ΔH_f, kcal/mol:	32.91
Dipole, Da:	8.71
IP(EA), eV:	-9.04(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)-(4-methylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=NC4=NC=NN34)C5=CC=CC=C5

DOS

IR

Vibrations