Geometry & MOs

Info

ID:	344518
PubChem CID:	127268102
Reduced:	ON6C17H30 (1)
Stoich.:	AB6C17D30 (1)
Weight, g/mol:	345.252861
ΔH_f, kcal/mol:	-8.86
Dipole, Da:	9.87
IP(EA), eV:	-9.16(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-1-[4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)N1C(=NN=N1)CN2CCN(CC2)C(=O)CC3CCCCC3

DOS

IR

Vibrations