Geometry & MOs

Info

ID:	351677
PubChem CID:	127280764
Reduced:	ON6C19H32 (1)
Stoich.:	AB6C19D32 (1)
Weight, g/mol:	360.26376
ΔH_f, kcal/mol:	-5.12
Dipole, Da:	4.04
IP(EA), eV:	-8.86(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(N1C2CC2)CN3CCN(CC3)CC(=O)NC4CCCCC4

DOS

IR

Vibrations