Geometry & MOs

Info

ID:	348027
PubChem CID:	127273089
Reduced:	ON2C9H15 (2)
Stoich.:	AB2C9D15 (2)
Weight, g/mol:	320.221226
ΔH_f, kcal/mol:	-56.18
Dipole, Da:	2.62
IP(EA), eV:	-8.94(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azepan-1-yl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CN2CCN(CC2)CC(=O)NCC3CCCCC3

DOS

IR

Vibrations