Geometry & MOs

Info

ID:	364913
PubChem CID:	127316501
Reduced:	FO2N4C22H23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	387.182588
ΔH_f, kcal/mol:	-12.72
Dipole, Da:	5.94
IP(EA), eV:	-9.08(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=CC(=N2)C3=CC=C(C=C3)F)C(=O)N4CCN(CC4)C5CCC5

DOS

IR

Vibrations