Geometry & MOs

Info

ID:	165744
PubChem CID:	74590749
Reduced:	ON3C20H32 (1)
Stoich.:	AB3C20D32 (1)
Weight, g/mol:	339.147058
ΔH_f, kcal/mol:	-14.19
Dipole, Da:	4.55
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.056290
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(C)CN1CC[NH+](CC1CCO)CC2=CC3=CC=CC=C3N2

DOS

IR

Vibrations