Geometry & MOs

Info

ID:	205750
PubChem CID:	80150857
Reduced:	OSN2C15H24 (1)
Stoich.:	ABC2D15E24 (1)
Weight, g/mol:	269.173942
ΔH_f, kcal/mol:	-44.65
Dipole, Da:	4.62
IP(EA), eV:	-8.94(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(piperazine-1-carbonylamino)cycloheptane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CN(C)C(=O)C2CCCCCC2N

DOS

IR

Vibrations