Geometry & MOs

Info

ID:	193994
PubChem CID:	78465008
Reduced:	N2O3C18H29 (1)
Stoich.:	A2B3C18D29 (1)
Weight, g/mol:	268.133754
ΔH_f, kcal/mol:	-115.16
Dipole, Da:	8.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.067919
Charge, e:	1

Chem-info

IUPAC name:

1,3-benzodioxol-5-ylmethyl(3-phenylprop-2-enyl)azanium

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)COC1=CC=C(C=C1)C[NH2+]CC2CCCO2

DOS

IR

Vibrations