Geometry & MOs

Info

ID:	344520
PubChem CID:	127268104
Reduced:	ON5C18H31 (1)
Stoich.:	AB5C18D31 (1)
Weight, g/mol:	347.268511
ΔH_f, kcal/mol:	-36.08
Dipole, Da:	5.07
IP(EA), eV:	-8.97(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN=C(N1C)CN2CCN(CC2)C(=O)CC3CCCCC3

DOS

IR

Vibrations