Geometry & MOs

Info

ID:	430431
PubChem CID:	135170495
Reduced:	NC11H21 (1)
Stoich.:	AB11C21 (1)
Weight, g/mol:	258.136828
ΔH_f, kcal/mol:	-38.73
Dipole, Da:	1.75
IP(EA), eV:	-8.7(3.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-methyl-2-[(4-methylphenyl)methyl]pyrazol-3-yl] propanoate

Drug info:

PubChemData

Smile

C[C@H]1C2(CCCCC2)CCCN1

DOS

IR

Vibrations