Geometry & MOs

Info

ID:	183569
PubChem CID:	77042074
Reduced:	OF3N4C12H15 (1)
Stoich.:	AB3C4D12E15 (1)
Weight, g/mol:	234.148061
ΔH_f, kcal/mol:	-167.57
Dipole, Da:	7.43
IP(EA), eV:	-8.63(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-3-methylphenyl)-3-methylpyrazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1C(CNN1)C(=O)NC2=CC(=C(C=C2)N)C(F)(F)F

DOS

IR

Vibrations