Geometry & MOs

Info

ID:	141845
PubChem CID:	52937713
Reduced:	N2O3C7H13 (2)
Stoich.:	A2B3C7D13 (2)
Weight, g/mol:	388.178693
ΔH_f, kcal/mol:	-243.04
Dipole, Da:	10.75
IP(EA), eV:	-10.02(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-N-methylpyridin-4-amine

Drug info:

PubChemData

Smile

CC(C)(CN1C=C(N=N1)CNC2[C@@H]([C@H](C([C@H]([C@@H]2O)O)O)O)O)CO

DOS

IR

Vibrations