Geometry & MOs

Info

ID:	364884
PubChem CID:	127316383
Reduced:	ON5C17H21 (1)
Stoich.:	AB5C17D21 (1)
Weight, g/mol:	275.199762
ΔH_f, kcal/mol:	47.93
Dipole, Da:	4.86
IP(EA), eV:	-8.87(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-cyclobutylpiperazine-1-carbonyl)cyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

C1CC(C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=NC=N4

DOS

IR

Vibrations