Geometry & MOs

Info

ID:	78378
PubChem CID:	49689264
Reduced:	O2N5C20H25 (1)
Stoich.:	A2B5C20D25 (1)
Weight, g/mol:	382.164105
ΔH_f, kcal/mol:	-19.23
Dipole, Da:	8.1
IP(EA), eV:	-8.71(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(pyrazine-2-carbonyl)piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=CC(=C1)C(=O)NCC2CCN(CC2)C(=O)C3=NC=CN=C3

DOS

IR

Vibrations