Geometry & MOs

Info

ID:	78387
PubChem CID:	49689354
Reduced:	O3N4C23H30 (1)
Stoich.:	A3B4C23D30 (1)
Weight, g/mol:	412.211055
ΔH_f, kcal/mol:	-81.16
Dipole, Da:	5.66
IP(EA), eV:	-9.07(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-diethoxy-N-[[1-(pyrazine-2-carbonyl)piperidin-4-yl]methyl]benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations