Geometry & MOs

Info

ID:	28638
PubChem CID:	828720
Reduced:	OSN3C15H15 (1)
Stoich.:	ABC3D15E15 (1)
Weight, g/mol:	273.220498
ΔH_f, kcal/mol:	26.58
Dipole, Da:	1.3
IP(EA), eV:	-8.39(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1C=NC2=C1C=CC(=C2)NC(=O)C3=CC=CS3

DOS

IR

Vibrations