Geometry & MOs

Info

ID:	214250
PubChem CID:	84974784
Reduced:	N3O3C18H19 (1)
Stoich.:	A3B3C18D19 (1)
Weight, g/mol:	324.147393
ΔH_f, kcal/mol:	13.77
Dipole, Da:	7.82
IP(EA), eV:	-8.3(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzodioxol-5-yl)-N-[[4-(dimethylamino)phenyl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)CNC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations