Geometry & MOs

Info

ID:	351679
PubChem CID:	127280766
Reduced:	ON6C18H32 (1)
Stoich.:	AB6C18D32 (1)
Weight, g/mol:	362.27941
ΔH_f, kcal/mol:	-32.03
Dipole, Da:	3.04
IP(EA), eV:	-8.83(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN=C(N1C)CN2CCN(CC2)CC(=O)NC3CCCCC3

DOS

IR

Vibrations