Geometry & MOs

Info

ID:	257208
PubChem CID:	103144393
Reduced:	OF2N2H14C15 (1)
Stoich.:	AB2C2D14E15 (1)
Weight, g/mol:	244.132411
ΔH_f, kcal/mol:	-99.3
Dipole, Da:	4.78
IP(EA), eV:	-8.01(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-2,5-dimethylphenyl)-2-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1NC(=O)C2=C(C(=CC=C2)F)F)C)N

DOS

IR

Vibrations