Geometry & MOs

Info

ID:	144234
PubChem CID:	53334999
Reduced:	ClO2N5C20H20 (1)
Stoich.:	AB2C5D20E20 (1)
Weight, g/mol:	418.164105
ΔH_f, kcal/mol:	-10.86
Dipole, Da:	2.75
IP(EA), eV:	-8.62(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-4-(3-piperidin-1-ylpyrazin-2-yl)oxybenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)C2=C(N(N=N2)CC(=O)NC3=CC(=CC=C3)Cl)C

DOS

IR

Vibrations