Geometry & MOs

Info

ID:	199215
PubChem CID:	79218731
Reduced:	FON3C11H12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	257.189198
ΔH_f, kcal/mol:	-27.74
Dipole, Da:	2.67
IP(EA), eV:	-8.74(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3,5-dimethyl-1-(3-methylphenyl)pyrazol-4-yl]-2-methylpropan-1-amine

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C1CN)C2=CC=CC=C2F

DOS

IR

Vibrations