Geometry & MOs

Info

ID:	345998
PubChem CID:	127270315
Reduced:	NOC7H12 (2)
Stoich.:	ABC7D12 (2)
Weight, g/mol:	320.196074
ΔH_f, kcal/mol:	-122.14
Dipole, Da:	1.19
IP(EA), eV:	-9.53(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(cycloheptanecarbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone

Drug info:

PubChemData

Smile

C1CCCC(CC1)C(=O)N2CCCCC2C(=O)N

DOS

IR

Vibrations