Geometry & MOs

Info

ID:	342705
PubChem CID:	127265865
Reduced:	O2N3C15H23 (1)
Stoich.:	A2B3C15D23 (1)
Weight, g/mol:	277.179027
ΔH_f, kcal/mol:	-74.07
Dipole, Da:	3.19
IP(EA), eV:	-9.69(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxy-4-methylazepan-1-yl)-3-pyrazin-2-ylpropan-1-one

Drug info:

PubChemData

Smile

CCC(C1CCOCC1)NC(=O)CCC2=NC=CN=C2

DOS

IR

Vibrations