Geometry & MOs

Info

ID:	348467
PubChem CID:	127273578
Reduced:	O4N5C18H25 (1)
Stoich.:	A4B5C18D25 (1)
Weight, g/mol:	362.195405
ΔH_f, kcal/mol:	-145.7
Dipole, Da:	6.12
IP(EA), eV:	-8.42(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-acetylpiperazin-1-yl)-6-methoxypyridin-3-yl]oxane-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C2=C(C=CC(=N2)OC)NC(=O)CN3CCCC3=O

DOS

IR

Vibrations