Geometry & MOs

Info

ID:	446212
PubChem CID:	135273173
Reduced:	N3C24H41 (1)
Stoich.:	A3B24C41 (1)
Weight, g/mol:	326.309727
ΔH_f, kcal/mol:	-25.82
Dipole, Da:	1.16
IP(EA), eV:	-8.16(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)N2CCN(CC2)CC3CCN(CC3)C(C)(C)C

DOS

IR

Vibrations