Geometry & MOs

Info

ID:	428568
PubChem CID:	135167682
Reduced:	ION3C28H40 (1)
Stoich.:	ABC3D28E40 (1)
Weight, g/mol:	294.303499
ΔH_f, kcal/mol:	8.79
Dipole, Da:	3.32
IP(EA), eV:	-7.84(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-4-[[3-(2,2-dimethylpropyl)cyclopentyl]methyl]piperazine

Drug info:

PubChemData

Smile

CCCCCCCCNC(=O)C(C1=CC=CC(C=C1)(C)I)N=CC2=C(C=CC(C=C2)(C)C)N

DOS

IR

Vibrations