Geometry & MOs

Info

ID:	58350
PubChem CID:	24697942
Reduced:	NO2C10H11 (1)
Stoich.:	AB2C10D11 (1)
Weight, g/mol:	239.199762
ΔH_f, kcal/mol:	-25.17
Dipole, Da:	3.49
IP(EA), eV:	-8.98(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azepan-1-yl)-1-piperazin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)COCC#N

DOS

IR

Vibrations