Geometry & MOs

Info

ID:	39689
PubChem CID:	8141918
Reduced:	N2O3H22C24 (1)
Stoich.:	A2B3C22D24 (1)
Weight, g/mol:	419.173273
ΔH_f, kcal/mol:	-8.72
Dipole, Da:	2.87
IP(EA), eV:	-8.66(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)C(=O)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations