Geometry & MOs

Info

ID:	39340
PubChem CID:	8140368
Reduced:	O2N3C24H35 (1)
Stoich.:	A2B3C24D35 (1)
Weight, g/mol:	353.186518
ΔH_f, kcal/mol:	-102.66
Dipole, Da:	1.52
IP(EA), eV:	-8.96(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[[(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoyl]amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1CNC(=O)CNC(=O)CC23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations