Geometry & MOs

Info

ID:	60755
PubChem CID:	26701818
Reduced:	ON2C20H20 (1)
Stoich.:	AB2C20D20 (1)
Weight, g/mol:	310.095357
ΔH_f, kcal/mol:	18.37
Dipole, Da:	5.22
IP(EA), eV:	-9.19(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-cyanophenyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Drug info:

PubChemData

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CC[C@H](CNC(=O)C1=CC=CC2=C1N=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations