Geometry & MOs

Info

ID:	365739
PubChem CID:	127318464
Reduced:	N3O3C21H29 (1)
Stoich.:	A3B3C21D29 (1)
Weight, g/mol:	374.195405
ΔH_f, kcal/mol:	-124.86
Dipole, Da:	6.24
IP(EA), eV:	-8.51(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-acetylpiperazin-1-yl)-6-methoxypyridin-3-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

C1CC2C(CC1O2)C(=O)NC3=CC=C(C=C3)CCN4CCC(CC4)C(=O)N

DOS

IR

Vibrations