Geometry & MOs

Info

ID:	233680
PubChem CID:	91563522
Reduced:	O4C19H30 (1)
Stoich.:	A4B19C30 (1)
Weight, g/mol:	372.207388
ΔH_f, kcal/mol:	-158.29
Dipole, Da:	3.54
IP(EA), eV:	-9.23(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-(3-aminocyclobutyl)-4-methyl-1,2,4-triazol-3-yl]methyl]-1-[(4-fluorophenyl)methyl]piperazin-2-one

Drug info:

PubChemData

Smile

CCCCC[C@@H](C=CC=CCC=CCC=CCOCC(=O)O)O

DOS

IR

Vibrations