Geometry & MOs

Info

ID:	367075
PubChem CID:	127323062
Reduced:	ON5C19H23 (1)
Stoich.:	AB5C19D23 (1)
Weight, g/mol:	342.205576
ΔH_f, kcal/mol:	26.35
Dipole, Da:	4.36
IP(EA), eV:	-8.79(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclobutyl-[4-[2-[(5-methyl-1,3-benzoxazol-2-yl)amino]ethyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCC1=CC(=NC=N1)N2CCCC(C2)NC3=NC4=C(O3)C=CC(=C4)C

DOS

IR

Vibrations