Geometry & MOs

Info

ID:	28639
PubChem CID:	828722
Reduced:	N3C17H27 (1)
Stoich.:	A3B17C27 (1)
Weight, g/mol:	273.220498
ΔH_f, kcal/mol:	14.6
Dipole, Da:	4.29
IP(EA), eV:	-8.64(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,2S)-2-methylcyclohexyl]-4-(pyridin-4-ylmethyl)piperazine

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@H]1N2CCN(CC2)CC3=CC=NC=C3

DOS

IR

Vibrations