Geometry & MOs

Info

ID:	281279
PubChem CID:	103913640
Reduced:	ON2C18H26 (1)
Stoich.:	AB2C18D26 (1)
Weight, g/mol:	216.126263
ΔH_f, kcal/mol:	-20.99
Dipole, Da:	1.82
IP(EA), eV:	-9.0(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,3-dimethylphenoxy)methyl]-1-methylpyrazole

Drug info:

PubChemData

Smile

CCCCCC(C1=CC=CC=C1)NCC2=NC(=C(O2)C)C

DOS

IR

Vibrations