Geometry & MOs

Info

ID:	296650
PubChem CID:	117587408
Reduced:	O3N6H14C17 (1)
Stoich.:	A3B6C14D17 (1)
Weight, g/mol:	365.173942
ΔH_f, kcal/mol:	73.02
Dipole, Da:	0.65
IP(EA), eV:	-9.61(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1,3-benzodioxol-5-yl)-N-[(1-pyridin-3-ylpiperidin-4-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NC=CN1C2=NC=NC(=C2)NC(=O)/C=C/C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations