Geometry & MOs

Info

ID:	330380
PubChem CID:	127247367
Reduced:	O3N4C18H20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	340.153541
ΔH_f, kcal/mol:	-60.42
Dipole, Da:	3.63
IP(EA), eV:	-9.26(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-[2-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCCCN2C(=O)CN3C4=CC=CC=C4OC3=O

DOS

IR

Vibrations