Geometry & MOs

Info

ID:	364901
PubChem CID:	127316489
Reduced:	O2N3C13H21 (1)
Stoich.:	A2B3C13D21 (1)
Weight, g/mol:	367.237211
ΔH_f, kcal/mol:	-83.99
Dipole, Da:	5.78
IP(EA), eV:	-8.92(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyclobutylpiperazin-1-yl)-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazol-3-yl]methanone

Drug info:

PubChemData

Smile

C1CC(C1)N2CCN(CC2)C(=O)C3CC(=O)NC3

DOS

IR

Vibrations