Geometry & MOs

Info

ID:	330304
PubChem CID:	127247291
Reduced:	ON5C18H23 (1)
Stoich.:	AB5C18D23 (1)
Weight, g/mol:	326.13789
ΔH_f, kcal/mol:	20.16
Dipole, Da:	6.67
IP(EA), eV:	-8.7(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-[2-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CC=NN2)C(=O)C3=CC(=NC=C3)N4CCCC4

DOS

IR

Vibrations