Geometry & MOs

Info

ID:	198316
PubChem CID:	79085647
Reduced:	ON4C11H20 (1)
Stoich.:	AB4C11D20 (1)
Weight, g/mol:	255.173548
ΔH_f, kcal/mol:	-15.16
Dipole, Da:	4.25
IP(EA), eV:	-9.14(1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine-2-carbonitrile

Drug info:

PubChemData

Smile

CN(C)C(=O)CCCN1CCNCC1C#N

DOS

IR

Vibrations