Geometry & MOs

Info

ID:	62278
PubChem CID:	26718881
Reduced:	ClN2O5H17C19 (1)
Stoich.:	AB2C5D17E19 (1)
Weight, g/mol:	321.100108
ΔH_f, kcal/mol:	-145.32
Dipole, Da:	6.62
IP(EA), eV:	-8.72(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-4-methoxynaphthalene-1-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)N2C[C@H](CC2=O)C(=O)NC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations