Geometry & MOs

Info

ID:	402865
PubChem CID:	135057596
Reduced:	NOH7C8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	258.136828
ΔH_f, kcal/mol:	-36.44
Dipole, Da:	4.95
IP(EA), eV:	-9.83(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pentyl 2-pyrazol-1-ylbenzoate

Drug info:

PubChemData

Smile

CC1=C2CC(=O)N(C(=O)C2=CC=C1)CC3=CC=CC=N3

DOS

IR

Vibrations