Geometry & MOs

Info

ID:	130503
PubChem CID:	51090978
Reduced:	N3O4C17H19 (1)
Stoich.:	A3B4C17D19 (1)
Weight, g/mol:	340.142307
ΔH_f, kcal/mol:	-41.27
Dipole, Da:	3.18
IP(EA), eV:	-9.89(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1,3-benzodioxol-5-yl)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N(CCOC)CC2=CC=CC=N2)[N+](=O)[O-]

DOS

IR

Vibrations