Geometry & MOs

Info

ID:	144211
PubChem CID:	53333067
Reduced:	ON5C17H23 (1)
Stoich.:	AB5C17D23 (1)
Weight, g/mol:	367.237211
ΔH_f, kcal/mol:	26.41
Dipole, Da:	5.26
IP(EA), eV:	-8.5(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclohexylpiperazin-1-yl)-[1-(3,4-dimethylphenyl)triazol-4-yl]methanone

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(=O)C2=CN(N=N2)C3=CC(=C(C=C3)C)C

DOS

IR

Vibrations