Geometry & MOs

Info

ID:	348118
PubChem CID:	127273180
Reduced:	ON5C18H25 (1)
Stoich.:	AB5C18D25 (1)
Weight, g/mol:	396.227374
ΔH_f, kcal/mol:	18.39
Dipole, Da:	7.61
IP(EA), eV:	-8.85(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclohexylacetyl)-N-[4-(triazol-1-yl)phenyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CN(CCC1CCCCC1)C(=O)NC2=CC=C(C=C2)N3C=CN=N3

DOS

IR

Vibrations